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Using 1-iodo-3-nitrobenzene, ethynyltrimethylsilane to produce trimethyl((3-nitrophenyl)ethynyl)silane, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCN(CC)CC"], "agent": ["[Cu]I", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using methyl 2-(5-fluoro-1H-inden-2-yl)-3-(6-fluoro-3,4-dihydroquinolin-1(2H)-yl)quinoxaline-6-carboxylate, hydroxide to produce 3-(6-fluoro-3,4-dihydroquinolin-1(2H)-yl)-2-(5-fluorobenzofuran-2-yl)quinoxaline-6-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]"]} |
Using dichloromethane, tert-butyl 3-(isoquinolin-5-ylamino)piperidine-1-carboxylate to produce N-(piperidin-3-yl)isoquinolin-5-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CO"], "agent": ["Cl"]} |
Using 1-bromo-3,7-dimethyloctane, 6-hydroxy-2H-chromen-2-one to produce 6-((3,7-dimethyloctyl)oxy)-2H-chromen-2-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using 3-iodoprop-1-ene, methyl 6-oxo-5,6-dihydro-1,5-naphthyridine-3-carboxylate to produce methyl 5-allyl-6-oxo-5,6-dihydro-1,5-naphthyridine-3-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using 7-(2-(cyclopentyloxy)ethoxy)-6-methoxy-4-phenoxyquinazoline to produce 7-(2-(cyclopentyloxy)ethoxy)-6-methoxyquinazolin-4(3H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["Cl"]} |
Using methanolate, 3-chloro-6-(4-(m-tolyl)piperazin-1-yl)pyridazine to produce 3-methoxy-6-(4-(m-tolyl)piperazin-1-yl)pyridazine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Na+]", "[Na]"]} |
Using 4-(7-(2-morpholinoethoxy)benzo[d]imidazo[2,1-b]thiazol-2-yl)aniline, (2-(3,5-dimethylphenyl)acetyl)-L-phenylalanine to produce (S)-2-(2-(3,5-dimethylphenyl)acetamido)-N-(4-(7-(2-morpholinoethoxy)benzo[d]imidazo[2,1-b]thiazol-2-yl)phenyl)-3-phenylpropanamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using ethyl 2-((tert-butyldimethylsilyl)oxy)acetate, N,O-dimethylhydroxylamine to produce 2-((tert-butyldimethylsilyl)oxy)-N-methoxy-N-methylacetamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["CC(C)[Mg]Cl", "Cl"]} |
Using methyl 2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)-4-(((trifluoromethyl)sulfonyl)oxy)thiazole-5-carboxylate, 2-allyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane to produce methyl 4-allyl-2-(2-methylpyrazolo[1,5-a]pyridin-3-yl)thiazole-5-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "COCCOC"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using benzyl 4-((1R,2S)-2-(2-((5-(methylsulfonyl)pyridin-2-yl)oxy)ethyl)cyclopropyl)piperidine-1-carboxylate to produce 5-(methylsulfonyl)-2-(2-((1S,2R)-2-(piperidin-4-yl)cyclopropyl)ethoxy)pyridine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[Pd]"]} |
Using 6,7-dichloro-5-methoxy-2,2-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-one to produce 6,7-dichloro-5-hydroxy-2,2-dimethyl-3-phenyl-2,3-dihydro-1H-inden-1-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "c1ccncc1"], "agent": ["Cl"]} |
Using ethyl 7-methyl-2,4-dioxo-1,5-diphenyl-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate, pocl3 to produce ethyl 4-chloro-7-methyl-2-oxo-1,5-diphenyl-1,2,5,8-tetrahydropyrido[2,3-d]pyrimidine-6-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "ClC(Cl)Cl"], "agent": ["[K+]", "CC(=O)[O-]"]} |
Using (2-amino-5-fluorophenyl)(2,6-difluorophenyl)methanone to produce 2-(2,6-difluorobenzyl)-4-fluoroaniline, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["OCCOCCO"], "agent": ["[K+]", "[OH-]"]} |
Using aceticacid, 3-(((4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)azetidine-3-carboxamide to produce 1-acetyl-3-(((4-((3-chloro-2-fluorophenyl)amino)-7-methoxyquinazolin-6-yl)methyl)(methyl)amino)azetidine-3-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl", "CCN(C(C)C)C(C)C"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using aceticanhydride, octyl 2-oxopropanoate to produce octyl 2-acetoxyacrylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O", "O"], "agent": ["Cc1ccc(S(=O)(=O)O)cc1"]} |
Using 6,8-dimercaptooctanoic acid to produce 5-(1,2-dithiolan-3-yl)pentanoic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["[Na+]", "[OH-]"]} |
Using carbonate, allyl 2-allyl-6-hydroxybenzoate to produce allyl 2-allyl-6-methoxybenzoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CI", "CC(C)=O"], "agent": ["[K+]"]} |
Using (1-(((2-amino-6-chloropyrimidin-4-yl)amino)methyl)cyclobutyl)methanol to produce (1-(((2-aminopyrimidin-4-yl)amino)methyl)cyclobutyl)methanol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "C1=CCCCC1"], "agent": ["[OH-]", "[Pd+2]"]} |
Using diisopropylamide, benzyl spiro[2.3]hexane-5-carboxylate to produce benzyl 5-methylspiro[2.3]hexane-5-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CI", "C1CCOC1"], "agent": ["[Li+]"]} |
Using aceticanhydride, biacetyl to produce 3-oxobut-1-en-2-yl acetate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOCC", "CCN(CC)CC"], "agent": ["CN(C)c1ccccn1"]} |
Using ethyl (Z)-3-(3-methoxy-4-(methoxymethoxy)-5-propylnaphthalen-1-yl)-2-methylacrylate to produce (Z)-3-(3-methoxy-4-(methoxymethoxy)-5-propylnaphthalen-1-yl)-2-methylacrylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[K+]", "Cl", "[OH-]"]} |
Using ethyl 2-bromoacetate, 3-bromo-1,3,4,5-tetrahydro-2H-benzo[b]azepin-2-one to produce ethyl 2-(3-bromo-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-1-yl)acetate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using tert-butyl (2S,4R)-4-(3,4-dichlorobenzyl)-2-(((methylsulfonyl)oxy)methyl)pyrrolidine-1-carboxylate, cyanide to produce tert-butyl (2S,4R)-2-(cyanomethyl)-4-(3,4-dichlorobenzyl)pyrrolidine-1-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CS(C)=O"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using but-3-yn-1-ol, N-(4-chlorobenzyl)-8-iodo-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide to produce N-(4-chlorobenzyl)-8-(4-hydroxybut-1-yn-1-yl)-1-methyl-4-oxo-1,4-dihydroquinoline-3-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCNCC"], "agent": ["I[Cu]I", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using methanethiolate, 4,5-dichloro-2-nitroaniline to produce 4-chloro-5-(methylthio)-2-nitroaniline, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]"]} |
Using 1-fluoro-4-nitrobenzene, pyridine-2-thiol to produce 2-((4-nitrophenyl)thio)pyridine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using 2-(4-bromophenyl)-5-(decyloxy)pyrimidine, hept-6-yn-2-ol to produce 7-(4-(5-(decyloxy)pyrimidin-2-yl)phenyl)hept-6-yn-2-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCN(CC)CC"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "I[Cu]I", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using tert-butyl 4-(2-formylphenyl)piperazine-1-carboxylate, dimethylamine to produce tert-butyl 4-(2-((dimethylamino)methyl)phenyl)piperazine-1-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCCl", "C1CCOC1"], "agent": ["[Na+]", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]} |
Using methyl 2-isopropyl-5-methylthiazole-4-carboxylate to produce 2-isopropyl-5-methylthiazole-4-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Li+]", "[OH-]"]} |
Using 2-bromo-1-(3-methoxyphenyl)ethan-1-one, 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine to produce 2-(3-methoxyphenyl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)imidazo[1,2-a]pyridine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCCO"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using (3-(azidomethyl)-1-benzyl-4-(methoxyimino)pyrrolidin-3-yl)methyl methanesulfonate to produce (3-(aminomethyl)-1-benzyl-4-(methoxyimino)pyrrolidin-3-yl)methyl methanesulfonate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O"], "agent": ["[H][H]", "[Ni]"]} |
Using ethyl 1-(5-chloro-2-hydroxybenzyl)-5-methyl-1H-pyrazole-3-carboxylate, 1-(bromomethyl)-4-chlorobenzene to produce ethyl 1-(5-chloro-2-((4-chlorobenzyl)oxy)benzyl)-5-methyl-1H-pyrazole-3-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]", "[I-]"]} |
Using 1,3,7-trimethyl-1,5-dihydro-2H-pyrrolo[3,2-d]pyrimidine-2,4(3H)-dione, 2-bromo-N-(4-(3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl)thiazol-2-yl)acetamide to produce N-(4-(3,5-dichloro-4-(3,3,3-trifluoropropoxy)phenyl)thiazol-2-yl)-2-(1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydro-5H-pyrrolo[3,2-d]pyrimidin-5-yl)acetamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using (4-(trifluoromethyl)phenyl)boronic acid, methyl 6-chloronicotinate to produce methyl 6-(4-(trifluoromethyl)phenyl)nicotinate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1"], "agent": ["[F-]", "[Cs+]"]} |
Using ethyl (R)-4-bromo-2-methyl-2-(methylsulfonyl)butanoate, 5-fluoro-4-iodopyridin-2(1H)-one to produce ethyl (R)-4-(5-fluoro-4-iodo-2-oxopyridin-1(2H)-yl)-2-methyl-2-(methylsulfonyl)butanoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using n,n-dimethylformamide, 2-chloro-6-(methylsulfonyl)pyridine to produce 6-chloropicolinonitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["[Na+]", "[C-]#N"]} |
Using ((2R,3R,4S,5R)-3-(benzoyloxy)-4-fluoro-5-(8-oxo-7,8-dihydroimidazo[4,5-d][1,3]diazepin-3(6H)-yl)tetrahydrofuran-2-yl)methyl benzoate to produce 3-((2R,3S,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-6,7-dihydroimidazo[4,5-d][1,3]diazepin-8(3H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["C[O-]", "[Na+]"]} |
Using (4-(3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl)-2'-methyl-[1,1'-biphenyl]-2-yl)methanol to produce 4-(3-(5-fluoro-2-methoxyphenyl)-1,2,4-oxadiazol-5-yl)-2'-methyl-[1,1'-biphenyl]-2-carbaldehyde, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["[O-2]", "[Mn+4]"]} |
Using 6-fluoro-7-((2-fluoro-4-iodophenyl)amino)-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylic acid, O-(2-(tert-butoxy)ethyl)hydroxylamine to produce N-(2-(tert-butoxy)ethoxy)-6-fluoro-7-((2-fluoro-4-iodophenyl)amino)-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "CN1CCOCC1"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using 3-((3-(tert-butyl)-1-(2,6-dimethylphenyl)-1H-pyrazol-5-yl)amino)picolinic acid, dichloromethane to produce 3-((3-(tert-butyl)-4-chloro-1-(2,6-dimethylphenyl)-1H-pyrazol-5-yl)amino)picolinic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O", "O"], "agent": ["O=C1CCC(=O)N1Cl", "[K+]", "[OH-]"]} |
Using 5-chloro-3-nitroimidazo[1,2-a]pyridine, 1-(methylsulfonyl)piperidin-4-ol to produce 5-((1-(methylsulfonyl)piperidin-4-yl)oxy)-3-nitroimidazo[1,2-a]pyridine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["[Na+]", "[H-]"]} |
Using 2-(4-fluoro-2-methylphenyl)acetonitrile, N,N-bis(2-chloroethyl)-4-methylbenzenesulfonamide to produce 4-(4-fluoro-2-methylphenyl)-1-tosylpiperidine-4-carbonitrile, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["[Li+]", "[NH2-]"]} |
Using tert-butyl ((5-(dimethylamino)naphthalen-1-yl)sulfonyl)glycyl-L-prolinate to produce ((5-(dimethylamino)naphthalen-1-yl)sulfonyl)glycyl-L-proline, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1", "CCOCC"], "agent": ["Cl"]} |
Using iodomethane, (R)-(7-chlorothieno[3,2-b]pyridin-2-yl)(3-hydroxypyrrolidin-1-yl)methanone to produce (R)-(7-chlorothieno[3,2-b]pyridin-2-yl)(3-methoxypyrrolidin-1-yl)methanone, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using methyl 5-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-trityl-1H-pyrazol-3-yl)thiophene-2-carboxylate, 2-(6-bromoimidazo[1,2-a]pyridin-3-yl)thiazole to produce methyl 5-(4-(3-(thiazol-2-yl)imidazo[1,2-a]pyridin-6-yl)-1-trityl-1H-pyrazol-3-yl)thiophene-2-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[K+]", "O=P([O-])([O-])[O-]"]} |
Using 2,2,2-trifluoroethane-1-sulfonyl chloride, 1-(4-bromophenyl)-N-(pyridin-3-ylmethyl)ethan-1-amine to produce N-(1-(4-bromophenyl)ethyl)-2,2,2-trifluoro-N-(pyridin-3-ylmethyl)ethane-1-sulfonamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["CN(C)c1ccncc1"]} |
Using 1-benzylindoline-5-carbaldehyde to produce 5-methylindoline, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[H][H]"]} |
Using benzaldehyde, (S)-2-aminopropan-1-ol to produce (S)-2-(benzylamino)propan-1-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O", "ClCCl"], "agent": ["[Na+]", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]} |
Using 2-(3-bromo-2-oxoquinolin-1(2H)-yl)acetaldehyde, tert-butyl ((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)(piperidin-4-yl)carbamate to produce tert-butyl (1-(2-(3-bromo-2-oxoquinolin-1(2H)-yl)ethyl)piperidin-4-yl)((2,3-dihydrobenzo[b][1,4]dioxin-6-yl)methyl)carbamate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)O", "ClC(Cl)Cl"], "agent": ["CC(=O)O[BH-](OC(C)=O)OC(C)=O", "[Na+]", "O=C([O-])O"]} |
Using 2,2,2-trifluoro-N-(((1s,4s)-4-((6-methoxy-2-(2-(pyridin-2-yl)vinyl)quinazolin-4-yl)amino)cyclohexyl)methyl)acetamide to produce N-((1s,4s)-4-(aminomethyl)cyclohexyl)-6-methoxy-2-(2-(pyridin-2-yl)vinyl)quinazolin-4-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using 4-iodo-7-methyl-7H-pyrrolo[2,3-d]pyrimidine, 5-chloro-3-((4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)phenyl)sulfonamido)-N-methoxy-N-methylpicolinamide to produce 4-chloro-N-(5-chloro-2-(7-methyl-7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)pyridin-3-yl)-3-(trifluoromethyl)benzenesulfonamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO", "C1CCOC1"], "agent": ["CC(C)[Mg]Cl", "Cl"]} |
Using 1-bromo-3-(bromomethyl)benzene, 3-(3-methyl-1H-1,2,4-triazol-5-yl)-5-(4-(trifluoromethoxy)phenyl)isoxazole to produce 3-(1-(3-bromobenzyl)-5-methyl-1H-1,2,4-triazol-3-yl)-5-(4-(trifluoromethoxy)phenyl)isoxazole, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using 3-fluoropyrrolidine, tert-butyl 3-(5-(5-(3-cyano-4-fluorophenyl)-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl)propanoate to produce tert-butyl 3-(5-(5-(3-cyano-4-(3-fluoropyrrolidin-1-yl)phenyl)-1,2,4-oxadiazol-3-yl)isoquinolin-1-yl)propanoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using p-tolylboronic acid, 2-(4-chloro-2-methoxyphenoxy)-6-fluoropyridine to produce 2-fluoro-6-((3-methoxy-4'-methyl-[1,1'-biphenyl]-4-yl)oxy)pyridine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "COCCOC"], "agent": ["O=C([O-])[O-]", "[K+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using tert-butyl (R)-(1-(4-chloro-2-fluoro-3-(6-methoxynicotinoyl)phenyl)propyl)carbamate to produce (R)-5-(3-(1-aminopropyl)-6-chloro-2-fluorobenzoyl)pyridin-2(1H)-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["Cl"]} |
Using (E)-(((4-((5-(hex-3-en-5-yn-3-yl)thiophen-2-yl)methoxy)-1,2-phenylene)bis(methylene))bis(oxy))bis(tert-butyldimethylsilane), 1,1,1,3,3,3-hexafluoropropan-2-one to produce (E)-6-(5-((3,4-bis(((tert-butyldimethylsilyl)oxy)methyl)phenoxy)methyl)thiophen-2-yl)-1,1,1-trifluoro-2-(trifluoromethyl)oct-5-en-3-yn-2-ol, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using 1-bromo-2-iodobenzene, naphthalen-1-ylboronic acid to produce 1-(2-bromophenyl)naphthalene, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["O=C([O-])[O-]", "[Na+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using 2-aminonaphthalene-1(2H)-thione, methyl 2-chloro-3,5-dinitrobenzoate to produce 10-nitro-7H-benzo[c]phenothiazine-8-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCO"], "agent": ["[Na+]", "[OH-]"]} |
Using 3-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)propanenitrile, acetate to produce N-(3-(2,3-dihydrobenzo[b][1,4]dioxin-2-yl)propyl)acetamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(=O)OC(C)=O", "O"], "agent": ["[H][H]", "[Na+]", "[Ni]"]} |
Using ethyl 5-butyl-1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-1H-pyrazole-3-carboxylate to produce 5-butyl-1-((2'-cyano-[1,1'-biphenyl]-4-yl)methyl)-1H-pyrazole-3-carboxylic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using ethyl 2-((2-(7-(N-methylthiophene-2-sulfonamido)-1H-indol-2-yl)thiazol-5-yl)methoxy)acetate to produce 2-((2-(7-(N-methylthiophene-2-sulfonamido)-1H-indol-2-yl)thiazol-5-yl)methoxy)acetic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using 4-bromo-1-methyl-7-(pentan-3-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one, tetramethylstannane to produce 1,4-dimethyl-7-(pentan-3-yl)-1,3-dihydro-2H-benzo[d]imidazol-2-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CN(C)P(=O)(N(C)C)N(C)C"], "agent": ["c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using ethyl 2-(3-(((3',4-difluoro-2-methyl-[1,1'-biphenyl]-3-yl)methyl)amino)-2,4-difluorophenoxy)acetate to produce 2-(3-(((3',4-difluoro-2-methyl-[1,1'-biphenyl]-3-yl)methyl)amino)-2,4-difluorophenoxy)acetic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using (S)-5-(benzyloxy)-2-(((benzyloxy)carbonyl)amino)-5-oxopentanoic acid, tert-butyl N-(L-valyl)-O-(tert-butyl)-L-threoninate to produce tert-butyl (5S,8S,11S)-5-(3-(benzyloxy)-3-oxopropyl)-11-((R)-1-(tert-butoxy)ethyl)-8-isopropyl-3,6,9-trioxo-1-phenyl-2-oxa-4,7,10-triazadodecan-12-oate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["On1nnc2ccccc21", "Cl", "C(=NC1CCCCC1)=NC1CCCCC1"]} |
Using methanesulfonyl chloride, (2-amino-5-nitrophenyl)(2,4-difluorophenyl)methanone to produce N-(2-(2,4-difluorobenzoyl)-4-nitrophenyl)methanesulfonamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["c1ccncc1"], "agent": ["Cl"]} |
Using 1,2-difluoro-3-(4-(pentyloxy)butoxy)benzene, triisopropyl borate to produce (2,3-difluoro-4-(4-(pentyloxy)butoxy)phenyl)boronic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using tert-butyl 4-(6-chloro-2-oxoindolin-3-ylidene)piperidine-1-carboxylate to produce tert-butyl 4-(6-chloro-2-oxoindolin-3-yl)piperidine-1-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Na+]", "[BH4-]"]} |
Using thiourea, methyl 4-(2-bromoacetyl)benzoate to produce methyl 4-(2-aminothiazol-4-yl)benzoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CC(C)O"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using tert-butyl hexahydropyrrolo[3,4-c]pyrrole-2(1H)-carboxylate, triethylamine to produce 2-benzyl 5-(tert-butyl) tetrahydropyrrolo[3,4-c]pyrrole-2,5(1H,3H)-dicarboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClC(Cl)Cl"], "agent": ["Cl"]} |
Using 1,1-dichlorospiro[3.5]nonan-2-one to produce spiro[3.5]nonan-2-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CC(=O)O"], "agent": ["[Zn]"]} |
Using (Z)-2-(5-((5-((2,6-dichlorobenzyl)sulfonyl)-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrol-3-yl)acetic acid, (R)-N-(piperidin-3-ylmethyl)cyclopropanamine to produce (S,Z)-3-((4-(2-(3-((cyclopropylamino)methyl)piperidin-1-yl)-2-oxoethyl)-3,5-dimethyl-1H-pyrrol-2-yl)methylene)-5-((2,6-dichlorobenzyl)sulfonyl)indolin-2-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["CCN=C=NCCCN(C)C", "On1nnc2ccccc21"]} |
Using ethyl 4-(bromomethyl)benzoate, 3-chloro-4-(4,4,4-trifluoro-3-hydroxy-3-(5-methylpyrazin-2-yl)butan-2-yl)phenol to produce ethyl 4-((3-chloro-4-(4,4,4-trifluoro-3-hydroxy-3-(5-methylpyrazin-2-yl)butan-2-yl)phenoxy)methyl)benzoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]", "[I-]"]} |
Using 4-bromo-6-methoxy-1,5-naphthyridin-3-amine to produce 6-methoxy-1,5-naphthyridin-3-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CO"], "agent": ["[Na+]", "O=C([O-])O", "[Pd]"]} |
Using triacetoxyhydroborate, 5-(2-benzyl-2H-indazol-6-yl)-7-(4-(piperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine to produce 5-(2-benzyl-2H-indazol-6-yl)-7-(4-(4-methylpiperazin-1-yl)phenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["[Na+]", "C=O"]} |
Using 1-iodoethan-1-ol, 4-((2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxamido)-3-methoxybenzoic acid to produce 2-iodoethyl 4-((2R,3S,4R,5S)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxamido)-3-methoxybenzoate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCN(CC)CC"], "agent": ["O=C1OCCN1P(=O)(Cl)N1CCOC1=O"]} |
Using benzo[d]thiazole, tert-butyl ((1r,4r)-4-(methoxy(methyl)carbamoyl)cyclohexyl)carbamate to produce tert-butyl (4-(benzo[d]thiazole-2-carbonyl)cyclohexyl)carbamate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using iodide, 1-(2-amino-5-fluorophenyl)-2-chloroethan-1-one to produce 1-(2-amino-5-fluorophenyl)-2-iodoethan-1-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC#N"], "agent": ["[Na+]"]} |
Using 6-chloro-2-hydroxy-N,N-dimethyl-3-nitrobenzamide, 3,4-diethoxycyclobut-3-ene-1,2-dione to produce 6-chloro-3-((2-ethoxy-3,4-dioxocyclobut-1-en-1-yl)amino)-2-hydroxy-N,N-dimethylbenzamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CO"], "agent": ["[H][H]", "O=[Pt]"]} |
Using (2-chloro-4-fluorophenyl)methanamine, (S)-1-(2-methylallyl)-5-oxopyrrolidine-2-carboxylic acid to produce (S)-N-(2-chloro-4-fluorobenzyl)-1-(2-methylallyl)-5-oxopyrrolidine-2-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl"], "agent": ["CCN=C=NCCCN(C)C", "On1nnc2ccccc21", "Cl"]} |
Using (bromomethyl)benzene, tert-butyl (R)-4-((1S,2S)-2-acetamido-3-(3,5-difluorophenyl)-1-hydroxypropyl)-2,2-dimethyloxazolidine-3-carboxylate to produce tert-butyl (R)-4-((1S,2S)-2-acetamido-1-(benzyloxy)-3-(3,5-difluorophenyl)propyl)-2,2-dimethyloxazolidine-3-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[I-]"]} |
Using 3-(4-(4-ethylphenoxy)phenyl)pyridin-2-amine, 2-chloroethane-1-sulfonyl chloride to produce 9-(4-(4-ethylphenoxy)phenyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine 2,2-dioxide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using 4-chloro-N-(3-(dimethylamino)propyl)-5-methylthieno[2,3-d]pyrimidine-6-sulfonamide, 4-fluoro-2-isopropoxyaniline to produce N-(3-(dimethylamino)propyl)-4-((4-fluoro-2-isopropoxyphenyl)amino)-5-methylthieno[2,3-d]pyrimidine-6-sulfonamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1COCCO1", "O"], "agent": ["[NH4+]", "Cl", "[OH-]"]} |
Using 6-methylheptane-2,4-dione, thf to produce 3,6-dimethylheptane-2,4-dione, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CI"], "agent": ["[Na+]", "[H-]"]} |
Using 5-((1-oxoisoquinolin-2(1H)-yl)methyl)furan-2-carboxylic acid, tert-butyl (5-(aminomethyl)-4,6-dimethylpyridin-2-yl)carbamate to produce N-((6-amino-2,4-dimethylpyridin-3-yl)methyl)-5-((1-oxoisoquinolin-2(1H)-yl)methyl)furan-2-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1cc(C)nc(C)c1", "C1CCOC1"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using 8-(((tert-butyldimethylsilyl)oxy)methyl)-8-methyl-3-(1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)cyclopropyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine, 3-bromo-2-methylpyridine to produce 8-(((tert-butyldimethylsilyl)oxy)methyl)-8-methyl-3-(1-(4-(2-methylpyridin-3-yl)phenyl)cyclopropyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]thiazepine, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "COCCOC"], "agent": ["O=C([O-])[O-]", "[K+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using methyl (4-(5-((3,4-dimethylphenyl)carbamoyl)-1H-benzo[d]imidazol-2-yl)-3,5-dimethylphenyl)glycinate to produce N-(3,4-dimethylphenyl)-2-(4-((2-hydroxyethyl)amino)-2,6-dimethylphenyl)-1H-benzo[d]imidazole-5-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Al+3]", "[Li+]", "[H-]"]} |
Using (aminooxy)sulfonic acid, ethyl 1H-imidazole-2-carboxylate to produce ethyl 1-amino-1H-imidazole-2-carboxylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using methyl 6-(3-isobutoxy-5-isopropoxybenzamido)nicotinate to produce 6-(3-isobutoxy-5-isopropoxybenzamido)nicotinic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using dodec-1-yne, 3-bromobenzaldehyde to produce 3-(dodec-1-yn-1-yl)benzaldehyde, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CCN(CC)CC"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "[Cu]I", "Cl[Pd]Cl"]} |
Using 7-hydroxy-3,4-dihydronaphthalen-1(2H)-one, hydroxylamine to produce 7-hydroxy-3,4-dihydronaphthalen-1(2H)-one oxime, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "CCO"], "agent": ["CC(=O)[O-]", "[Na+]", "Cl"]} |
Using 4-chloro-2-(4-methyl-2H-benzo[d][1,2,3]triazol-2-yl)phenol, ethyl 2-(4-(3-bromopropoxy)phenyl)acetate to produce ethyl 2-(4-(3-(4-chloro-2-(4-methyl-2H-benzo[d][1,2,3]triazol-2-yl)phenoxy)propoxy)phenyl)acetate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC#N"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using 1-methylpiperazine, 7-amino-2-methyl-4-(4-oxocyclohexyl)isoindolin-1-one to produce 7-amino-2-methyl-4-((1r,4r)-4-(4-methylpiperazin-1-yl)cyclohexyl)isoindolin-1-one, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCCl"], "agent": ["[Na+]", "CC(=O)O[BH-](OC(C)=O)OC(C)=O"]} |
Using 2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine, 5-(3-bromophenyl)-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole to produce 5-(3-(6-fluoropyridin-3-yl)phenyl)-2,8-dimethyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "COCCOC"], "agent": ["O=C([O-])[O-]", "[K+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using (1S,3'R,4'S,5'R,6'R)-3',4',5'-tris(benzyloxy)-6'-((benzyloxy)methyl)-5-chloro-6-(4-ethylbenzyl)-2,3,3',4',5',6'-hexahydrospiro[indene-1,2'-pyran]-3-ol, iodomethane to produce (1S,3'R,4'S,5'R,6'R)-3',4',5'-tris(benzyloxy)-6'-((benzyloxy)methyl)-5-chloro-6-(4-ethylbenzyl)-3-methoxy-2,3,3',4',5',6'-hexahydrospiro[indene-1,2'-pyran], please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using 4-bromophenol, N-cyclopropyl-1-(4-(ethylcarbamoyl)phenyl)-5-(hydroxymethyl)-1H-1,2,3-triazole-4-carboxamide to produce 5-((4-bromophenoxy)methyl)-N-cyclopropyl-1-(4-(ethylcarbamoyl)phenyl)-1H-1,2,3-triazole-4-carboxamide, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["Cc1ccccc1", "C1CCOC1"], "agent": ["CCCCP(CCCC)CCCC", "O=C(N=NC(=O)N1CCCCC1)N1CCCCC1"]} |
Using 1-((4-(3,4-dichlorobenzyl)morpholin-2-yl)methyl)-3-(piperidin-4-yl)urea, benzoylchloride to produce 1-(1-benzoylpiperidin-4-yl)-3-((4-(3,4-dichlorobenzyl)morpholin-2-yl)methyl)urea, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["ClCCl", "CCN(C(C)C)C(C)C"], "agent": ["Cl"]} |
Using ethyl 2-(7-chloro-6-methyl-2-oxo-4-phenyl-2H-chromen-3-yl)acetate, 1-bromopyrrolidine-2,5-dione to produce 2-(6-(bromomethyl)-7-chloro-2-oxo-4-phenyl-2H-chromen-3-yl)acetic acid, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CCOC(C)=O", "CC(=O)O"], "agent": ["Cl"]} |
Using dimethylsulfate, 6-nitro-2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imidazol-2-ol to produce 2-methoxy-6-nitro-2,3-dihydro-1H-benzo[d]pyrrolo[1,2-a]imidazole, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using tert-butyl acrylate, 5-(5-bromo-2-propoxyphenyl)-1-methyl-3-propyl-1,6-dihydro-7H-pyrazolo[4,3-d]pyrimidin-7-one to produce tert-butyl (E)-3-(3-(1-methyl-7-oxo-3-propyl-6,7-dihydro-1H-pyrazolo[4,3-d]pyrimidin-5-yl)-4-propoxyphenyl)acrylate, please predict the condition, including solvent and agent in SMILES notation in json format like:
```JSON
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": [
"On1nnc2ccccc21",
"C(=NC1CCCCC1)=NC1CCCCC1",
"Cl"
]
}
```
| {"solvent": ["CC#N", "CCN(CC)CC"], "agent": ["Cc1ccccc1P(c1ccccc1C)c1ccccc1C", "CC(=O)[O-]", "[Pd+2]"]} |
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