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Using p-tolylhydrazine, 4,4-dimethyl-3-oxopentanenitrile to produce 3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-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": ["CCO"], "agent": ["Cl"]} |
Using 6-(hydroxy(1-trityl-1H-imidazol-4-yl)methyl)-N-methyl-2-naphthamide to produce N-methyl-6-(1-trityl-1H-imidazole-4-carbonyl)-2-naphthamide, 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": ["[O-2]", "[Mn+4]"]} |
Using tert-butylchlorodimethylsilane, (4-bromothiophen-2-yl)methanol to produce ((4-bromothiophen-2-yl)methoxy)(tert-butyl)dimethylsilane, 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": ["c1c[nH]cn1"]} |
Using ethenesulfonyl chloride, naphthalene-1-sulfinic acid to produce 1-(naphthalen-1-yl)-2-vinyl-1lambda6,2lambda6-disulfane-1,1,2,2-tetraone, 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", "O"], "agent": ["[Na+]", "[OH-]"]} |
Using 4-chloro-2-nitro-6-(trifluoromethyl)aniline to produce 5-chloro-3-(trifluoromethyl)benzene-1,2-diamine, 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": ["Cl[Sn]Cl"]} |
Using 3-ethoxy-3-oxopropanoic acid, 2-hydroxy-2-methyl-1-(4-(methylsulfonyl)phenyl)propan-1-one to produce ethyl 5,5-dimethyl-4-(4-(methylsulfonyl)phenyl)-2-oxo-2,5-dihydrofuran-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": ["C1CCC2=NCCCN2CC1", "ClCCl"], "agent": ["CN(C)c1ccncc1"]} |
Using ethanol, 3-fluoro-4-methylbenzoic acid to produce ethyl 3-fluoro-4-methylbenzoate, 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=S(=O)(O)O"]} |
Using 2,2,6,6-tetramethylpiperidin-4-ol, 3,6-dichloropyridazine to produce 3-chloro-6-((2,2,6,6-tetramethylpiperidin-4-yl)oxy)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": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using tert-butyl (S)-4-hydroxyisoxazolidine-2-carboxylate, 4,6-dichloro-2-((2,3-difluorobenzyl)thio)pyrimidine to produce tert-butyl (S)-4-((6-chloro-2-((2,3-difluorobenzyl)thio)pyrimidin-4-yl)oxy)isoxazolidine-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", "C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using 8-(6-methoxypyridin-3-yl)-1,4-dioxaspiro[4.5]decan-8-ol to produce 4-hydroxy-4-(6-methoxypyridin-3-yl)cyclohexan-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": ["C1CCOC1"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using 5-methoxy-2-methyl-1H-indole to produce 2-methyl-1H-indol-5-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": ["ClCCl"], "agent": ["BrB(Br)Br"]} |
Using 1,1,1-trifluoropropan-2-one, 2-amino-2-phenylethan-1-ol to produce 2-methyl-4-phenyl-2-(trifluoromethyl)oxazolidine, 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", "Cc1ccccc1"], "agent": ["c1cc[nH+]cc1"]} |
Using 5-allyl-4-hydroxycyclopent-2-en-1-one to produce 2-allylcyclopent-4-ene-1,3-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": ["c1ccccc1", "CC(C)=O"], "agent": ["[Al]"]} |
Using n,n-dimethylformamide, 1,3,5-tribromobenzene to produce 3,5-dibromobenzaldehyde, 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", "C1CCOC1"], "agent": ["[Mg]"]} |
Using 4-(3,4-dichlorophenyl)-N-methyl-3,4-dihydronaphthalen-1(2H)-imine to produce (1S,4S)-4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-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": ["Clc1ccccc1", "CO"], "agent": ["[H][H]", "[Ni]"]} |
Using 3,5-dichloropentan-2-one, thiocyanate to produce 5-chloro-3-thiocyanatopentan-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": ["CCC(C)=O"], "agent": ["[Na+]"]} |
Using 1-fluoro-4-nitrobenzene, 1-((chloromethyl)sulfonyl)naphthalene to produce 1-((5-fluoro-2-nitrobenzyl)sulfonyl)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": ["C1CCOC1"], "agent": ["CC(C)(C)[O-]", "[K+]"]} |
Using thiomorpholine 1,1-dioxide, 1-(bromomethyl)-4-nitrobenzene to produce 4-(4-nitrobenzyl)thiomorpholine 1,1-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": ["CC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using methyl 5-(2-(pyrrolidin-1-yl)ethoxy)benzofuran-2-carboxylate to produce 5-(2-(pyrrolidin-1-yl)ethoxy)benzofuran-2-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": ["C1COCCO1"], "agent": ["[Li+]", "Cl", "[OH-]"]} |
Using n,n-dimethylformamide, (E)-2-(fluoromethylene)-4-(4-fluorophenyl)butan-1-ol to produce (E)-2-(fluoromethylene)-4-(4-fluorophenyl)butan-1-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", "Cc1ccccc1"], "agent": ["O=C(Cl)C(=O)Cl"]} |
Using ethyl 2,2-difluoro-2-phenylacetate to produce 2,2-difluoro-2-phenylethan-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": ["CCO"], "agent": ["[Na+]", "Cl", "[BH4-]"]} |
Using (bromomethyl)cyclopropane, ethyl 4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate to produce ethyl 5-(cyclopropylmethyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-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", "O"], "agent": ["[Na+]", "[H-]"]} |
Using trifluoromethanesulfonic acid to produce trifluoromethanesulfonate, 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", "C1CCCCC1"], "agent": ["[OH-]", "[Ca+2]"]} |
Using cyanide, benzyl (2R,4S)-2-(methoxymethyl)-4-tosylpyrrolidine-1-carboxylate to produce benzyl (2S,4S)-4-cyano-2-(methoxymethyl)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": ["O", "CS(C)=O"], "agent": ["[Cl-]", "[Na+]"]} |
Using isoquinoline-1-carboxylic acid to produce 1,2,3,4-tetrahydroisoquinoline-1-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": ["CC(=O)O"], "agent": ["[H][H]", "O=[Pt]"]} |
Using ethyl 4-((4-(1-(dipropylamino)cyclopropyl)phenyl)ethynyl)benzoate to produce 4-((4-(1-(dipropylamino)cyclopropyl)phenyl)ethynyl)benzoic 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 3,4-dihydro-2H-pyran, but-3-en-1-ol to produce 2-(but-3-en-1-yloxy)tetrahydro-2H-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": ["ClCCl"], "agent": ["c1cc[nH+]cc1", "Cc1ccc(S(=O)(=O)[O-])cc1"]} |
Using 2-(2-hydroxyethyl)phenol, iodoethane to produce 2-(2-ethoxyphenyl)ethan-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": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using ethynyltrimethylsilane, 2-fluoro-3-iodopyridine to produce 2-fluoro-3-((trimethylsilyl)ethynyl)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", "CCN(CC)CC"], "agent": ["[Cu]I", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using 4-(3-chlorophenyl)-2-((5-(dimethoxymethyl)-2-nitrophenyl)amino)thiazole-5-carboxamide to produce 4-(3-chlorophenyl)-2-((5-formyl-2-nitrophenyl)amino)thiazole-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": ["CC#N"], "agent": ["Cl"]} |
Using ethyl 2-bromoacetate, 3-hydroxybenzaldehyde to produce ethyl 2-(3-formylphenoxy)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(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using (2-aminophenyl)(4-fluorophenyl)methanone, methyl 3-cyclopropyl-3-oxopropanoate to produce methyl 2-cyclopropyl-4-(4-fluorophenyl)quinoline-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": ["CC(=O)O"], "agent": ["O=S(=O)(O)O", "[Na+]", "[OH-]"]} |
Using 2-(3-(oxazol-2-ylthio)propyl)isoindoline-1,3-dione to produce 3-(oxazol-2-ylthio)propan-1-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": ["CCO"], "agent": ["NN", "[H-]"]} |
Using 1-methylpiperidin-4-one, 5-nitro-1H-indole to produce 3-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5-nitro-1H-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": ["CO"], "agent": ["C[O-]", "[Na+]"]} |
Using trichloromethanethiol, 4-methylbenzimidamide to produce 5-chloro-3-(p-tolyl)-1,2,4-thiadiazole, 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", "ClC(Cl)Cl"], "agent": ["Cl"]} |
Using benzo[c][1,2,5]thiadiazol-5-ylmethanol to produce benzo[c][1,2,5]thiadiazole-5-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": ["ClC(Cl)Cl"], "agent": ["[Mn+4]", "[O-2]"]} |
Using hydroxylamine, 2-hydroxybenzonitrile to produce N',2-dihydroxybenzimidamide, 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+]", "Cl"]} |
Using 4-methylbenzenesulfonyl chloride, 5-bromo-3-iodo-1H-pyrrolo[2,3-b]pyridine to produce 5-bromo-3-iodo-1-tosyl-1H-pyrrolo[2,3-b]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": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using 2-chlorobenzaldehyde, hydroxylamine to produce 2-chlorobenzaldehyde 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": ["CCO", "O"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using tert-butyl 4-hydroxy-2-azaspiro[4.4]nonane-2-carboxylate to produce tert-butyl 4-oxo-2-azaspiro[4.4]nonane-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": ["ClCCl"], "agent": ["c1cc[nH+]cc1", "O=[Cr](=O)([O-])O[Cr](=O)(=O)[O-]"]} |
Using 1,4-dioxa-8-azaspiro[4.5]decane, methyl 4-fluoro-2-phenoxybenzoate to produce methyl 2-phenoxy-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-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": ["CCOC(C)=O"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using 2-methylbutanoyl chloride, methylthiobenzene to produce 2-methyl-1-(4-(methylthio)phenyl)butan-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", "ClC(Cl)Cl"], "agent": ["[Al+3]", "[Cl-]"]} |
Using 2,4,5-trichloropyrimidine, 2-(isopropylsulfonyl)aniline to produce 2,5-dichloro-N-(2-(isopropylsulfonyl)phenyl)pyrimidin-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": ["CN(C)C=O", "O"], "agent": ["[Na+]", "[H-]"]} |
Using 4-hydroxy-3-methoxy-5-nitrobenzaldehyde to produce 3,4-dihydroxy-5-nitrobenzaldehyde, 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": ["Br"]} |
Using 3-isopropoxybenzaldehyde to produce (3-isopropoxyphenyl)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": ["CO"], "agent": ["[Na+]", "[BH4-]"]} |
Using ethyl 3-oxocyclobutane-1-carboxylate to produce ethyl (1s,3s)-3-hydroxycyclobutane-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": ["CCO"], "agent": ["[Na+]", "Cl", "[BH4-]"]} |
Using hydroxylamine, 2,3,5-trimethylcyclohexa-2,5-diene-1,4-dione to produce 4-(hydroxyimino)-2,3,6-trimethylcyclohexa-2,5-dien-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", "CO"], "agent": ["Cl"]} |
Using ethyl 4-fluorobenzoate, 1H-imidazole to produce ethyl 4-(1H-imidazol-1-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", "CS(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using (R)-2-amino-N-(2-((1-((6-nitrobenzo[d][1,3]dioxol-5-yl)methyl)pyrrolidin-3-yl)amino)-2-oxoethyl)-5-(trifluoromethyl)benzamide to produce (R)-2-amino-N-(2-((1-((6-aminobenzo[d][1,3]dioxol-5-yl)methyl)pyrrolidin-3-yl)amino)-2-oxoethyl)-5-(trifluoromethyl)benzamide, 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 3-hydroxy-4-methoxybenzaldehyde, 3-ethoxy-4-methylbenzaldehyde to produce 3-(allyloxy)-4-methoxybenzaldehyde, 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", "C=CCBr"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using methyl 2-(3-chlorophenyl)acetate, dimethyl methylphosphonate to produce dimethyl (3-(3-chlorophenyl)-2-oxopropyl)phosphonate, 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", "C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using 1-phenylpropan-2-ol to produce 1-phenylpropan-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": ["ClCCl"], "agent": ["O=[Cr](=O)([O-])Cl", "c1cc[nH+]cc1"]} |
Using isoindoline-1,3-dione, 3-chloropropene to produce 2-allylisoindoline-1,3-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": ["CN(C)C=O"], "agent": ["[K]"]} |
Using bis(2-chloroethyl)amine, pocl3 to produce bis(2-chloroethyl)phosphoramidic dichloride, 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", "C1CCOC1"], "agent": ["Cl"]} |
Using ethyl 3-(4-cyclohexylphenyl)but-2-enoate to produce 3-(4-cyclohexylphenyl)but-2-en-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": ["C1CCOC1"], "agent": ["[Al+3]", "[Li+]", "[H-]"]} |
Using 2-chloro-6-methoxyquinoline-3-carbaldehyde to produce 2-chloro-6-hydroxyquinoline-3-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": ["BrB(Br)Br"]} |
Using 1,2-diaminoethane, 2-oxo-2-(thiophen-2-yl)acetaldehyde to produce 2-(thiophen-2-yl)piperazine, 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+]", "[BH4-]"]} |
Using methyl isoquinoline-3-carboxylate to produce isoquinoline-3-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": ["C1CCOC1"], "agent": ["CC(C)C[AlH]CC(C)C"]} |
Using cyanide, 4-bromo-1-(bromomethyl)-2-fluorobenzene to produce 2-(4-bromo-2-fluorophenyl)acetonitrile, 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": ["[K+]"]} |
Using 2,3-dihydro-1H-inden-2-amine, tert-butyl 2-bromoacetate to produce tert-butyl (2,3-dihydro-1H-inden-2-yl)glycinate, 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", "O"], "agent": ["[NH4+]", "Cl", "[OH-]"]} |
Using methyl 4-(mercapto(5-methoxy-1H-benzo[d]imidazol-2-yl)methyl)benzoate to produce 4-(mercapto(5-methoxy-1H-benzo[d]imidazol-2-yl)methyl)benzoic 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": ["[Li]O", "Cl"]} |
Using 4-nitro-3-(trifluoromethyl)phenol to produce 4-amino-3-(trifluoromethyl)phenol, 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 2-fluoro-4-methyl-6-nitrophenol to produce 2-amino-6-fluoro-4-methylphenol, 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": ["[Pd]"]} |
Using tert-butyl 4-oxopiperidine-1-carboxylate, 1,2,3,4-tetrahydroquinoline to produce tert-butyl 4-(3,4-dihydroquinolin-1(2H)-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": ["CC(=O)O", "CC(Cl)Cl"], "agent": ["CC(=O)O[BH-](OC(C)=O)OC(C)=O", "[Na+]", "O=C([O-])O"]} |
Using 4,5-diphenyl-2,4-dihydro-3H-pyrazole-3-thione, 2-bromoacetonitrile to produce 2-((3,4-diphenyl-1H-pyrazol-5-yl)thio)acetonitrile, 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 methyl 2-(4-((4-(1-(benzyloxy)cyclopropyl)-3-ethylphenyl)ethynyl)phenyl)acetate to produce 2-(4-((4-(1-(benzyloxy)cyclopropyl)-3-ethylphenyl)ethynyl)phenyl)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": ["CCO", "C1CCOC1"], "agent": ["[Na+]", "[OH-]"]} |
Using N'-(4-nitrophenyl)formohydrazide to produce N'-(4-aminophenyl)formohydrazide, 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": ["[Pd]"]} |
Using 2-bromobenzaldehyde, 1-ethynyl-4-methoxybenzene to produce 2-((4-methoxyphenyl)ethynyl)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": ["CCN(CC)CC"], "agent": ["[Cu]I", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using methyl 3-aminothiophene-2-carboxylate, cyanate to produce thieno[3,2-d]pyrimidine-2,4(1H,3H)-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": ["CC(=O)O", "O"], "agent": ["[Na+]"]} |
Using (S)-tetrahydrofuran-3-ol, 2-(phenylamino)quinoxalin-6-ol to produce (R)-N-phenyl-6-((tetrahydrofuran-3-yl)oxy)quinoxalin-2-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": ["C1CCOC1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)/N=N/C(=O)OCC"]} |
Using 5-chlorobenzofuran, triisopropyl borate to produce (5-chlorobenzofuran-2-yl)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": ["CCCCCC", "CCOCC"], "agent": ["[Li]CCCC", "CN(C)CCN(C)C"]} |
Using 4-chloro-7H-pyrrolo[2,3-d]pyrimidine, (2-(chloromethoxy)ethyl)trimethylsilane to produce 4-chloro-7-((2-(trimethylsilyl)ethoxy)methyl)-7H-pyrrolo[2,3-d]pyrimidine, 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 isoindoline-1,3-dione, 4-bromobut-1-ene to produce 2-(but-3-en-1-yl)isoindoline-1,3-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": ["CCC(C)=O"], "agent": ["[K]"]} |
Using benzenesulfonyl chloride, 4-bromo-1H-indole to produce 4-bromo-1-(phenylsulfonyl)-1H-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": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using 3-fluoropicolinonitrile to produce (3-fluoropyridin-2-yl)methanamine, 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": ["Cl", "[Pd]"]} |
Using 1-(4-(3-chloropropoxy)-3-methoxyphenyl)ethan-1-one, 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole to produce 1-(4-(3-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)-3-methoxyphenyl)ethan-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"], "agent": ["O=C([O-])[O-]", "[K+]", "Cl"]} |
Using acetonitrile, ethyl 4-ethoxybenzoate to produce 3-(4-ethoxyphenyl)-3-oxopropanenitrile, 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+]", "[OH-]", "[Li]CCCC"]} |
Using diethyl 2-(4-(benzyloxy)-2-nitrophenyl)malonate to produce 2-(4-(benzyloxy)-2-nitrophenyl)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": ["CCO"], "agent": ["[Na+]", "[OH-]"]} |
Using 2-cyanoacetamide, 1-(2-chlorophenyl)-2-(4-chlorophenyl)-3-(dimethylamino)prop-2-en-1-one to produce 6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-oxo-1,2-dihydropyridine-3-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": ["CN(C)C=O", "CO"], "agent": ["[Na+]", "[H-]"]} |
Using methyl (E)-6-(6-hydroxy-7-methyl-3-oxo-4-(tosyloxy)-1,3-dihydroisobenzofuran-5-yl)-4-methylhex-4-enoate, trifluoromethanesulfonic anhydride to produce methyl (E)-4-methyl-6-(7-methyl-3-oxo-4-(tosyloxy)-6-(((trifluoromethyl)sulfonyl)oxy)-1,3-dihydroisobenzofuran-5-yl)hex-4-enoate, 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+]", "O=C([O-])O"]} |
Using 2-chloro-3-(2-chloro-5-(4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-4-fluorophenyl)propanoic acid, ethanol to produce ethyl 2-chloro-3-(2-chloro-5-(4-(difluoromethyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)-4-fluorophenyl)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": ["Cc1ccccc1"], "agent": ["O=S(=O)(O)O"]} |
Using tert-butylchlorodimethylsilane, hex-5-yn-1-ol to produce tert-butyl(hex-5-yn-1-yloxy)dimethylsilane, 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": ["c1c[nH]cn1"]} |
Using ethylacetate, ethyl 2,2-diethoxyacetate to produce ethyl 4,4-diethoxy-3-oxobutanoate, 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]", "Cl"]} |
Using p-anisidine, 2-chlorobenzoic acid to produce 2-((4-methoxyphenyl)amino)benzoic 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", "OCCO"], "agent": ["C", "O=C([O-])[O-]", "[Na+]"]} |
Using N'-(1-((2R,3R,4R,5R)-3-fluoro-4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-4-glycyl-1H-imidazol-5-yl)-N,N-dimethylformimidamide to produce 3-((2R,3R,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+]", "O=C=O"]} |
Using 2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoic acid, tert-butyl (S)-(piperidin-2-ylmethyl)carbamate to produce tert-butyl (S)-((1-(2-(3-methyl-1,2,4-oxadiazol-5-yl)benzoyl)piperidin-2-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": ["CCN(C(C)C)C(C)C"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using 1H-imidazole, 1,2-difluoro-4-nitrobenzene to produce 1-(2-fluoro-4-nitrophenyl)-1H-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": ["CCOC(C)=O", "CS(C)=O"], "agent": ["[K+]", "O=P([O-])([O-])[O-]"]} |
Using dithionite, 4-bromo-3,3,4,4-tetrafluorobutan-1-ol to produce 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfinate, 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", "O"], "agent": ["[Br-]", "[Na+]", "O=C([O-])O"]} |
Using carbonate, 7-hydroxy-3,4-dihydroquinolin-2(1H)-one to produce 7-methoxy-3,4-dihydroquinolin-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": ["CN(C)C=O", "CI"], "agent": ["[K+]"]} |
Using (2-(chloromethoxy)ethyl)trimethylsilane, 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole to produce 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-pyrazole, 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-cyanophenyl)boronic acid, 2-chloro-4-iodopyridine to produce 4-(2-chloropyridin-4-yl)benzonitrile, 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": ["O=C([O-])[O-]", "[K+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using 2,3-dichlorobenzoic acid, ammonia to produce 2-amino-3-chlorobenzoic 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-]", "Cl[Cu]"]} |
Using benzyl carbonochloridate, 3-aminobutanoic acid to produce 3-(((benzyloxy)carbonyl)amino)butanoic 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", "CC(C)=O"], "agent": ["[Na+]", "[OH-]"]} |
Using acetohydrazide, (2S,5R)-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carboxylic acid to produce (2S,5R)-N'-acetyl-6-(benzyloxy)-7-oxo-1,6-diazabicyclo[3.2.1]octane-2-carbohydrazide, 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", "CCN(CC)CC"], "agent": ["CC(C)COC(=O)Cl"]} |
Using hexyl carbonochloridate, ethyl 3-(2-(((4-carbamimidoylphenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate to produce ethyl (Z)-3-(2-(((4-(N'-((hexyloxy)carbonyl)carbamimidoyl)phenyl)amino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)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": ["O", "CCC(C)=O"], "agent": ["O=C(O)C(=O)O", "O=C([O-])[O-]", "[K+]"]} |
Using diethyl cyclopropane-1,1-dicarboxylate to produce 1-(ethoxycarbonyl)cyclopropane-1-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", "ClCCl"], "agent": ["[Na+]", "[OH-]"]} |
Using 1-benzyl-6-(benzyloxy)-4-hydroxyquinolin-2(1H)-one to produce 1-benzyl-4,6-dihydroxyquinolin-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": ["CC(=O)O", "CO"], "agent": ["[H][H]", "[C]", "[Pd]"]} |
Using diethyl cyclopropane-1,1-dicarboxylate to produce 1-(ethoxycarbonyl)cyclopropane-1-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", "CCO"], "agent": ["[Na+]", "[OH-]"]} |
Using tert-butyl methyl(4-(5-nitro-1H-indol-3-yl)cyclohex-3-en-1-yl)carbamate to produce tert-butyl (4-(5-amino-1H-indol-3-yl)cyclohex-3-en-1-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": ["CO"], "agent": ["[Pd]", "N"]} |
Using (bromomethyl)benzene, 2-(hydroxymethyl)pyridin-3-ol to produce (3-(benzyloxy)pyridin-2-yl)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"], "agent": ["[K+]", "Cl", "[OH-]"]} |
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