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stringlengths 306
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Using methanamine, 3'-bromo-4'-methoxy-[1,1'-biphenyl]-4-carbaldehyde to produce (E)-1-(3'-bromo-4'-methoxy-[1,1'-biphenyl]-4-yl)-N-methylmethanimine, 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": ["[Mg+2]", "O=S(=O)([O-])[O-]"]} |
Using ethyl 3-(3-nitrophenyl)acrylate to produce ethyl 3-(3-aminophenyl)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": ["CO"], "agent": ["[Pd]"]} |
Using 5-(5-chloro-2-methylphenyl)cyclohexane-1,3-dione, ammonium to produce 5-amino-5'-chloro-2'-methyl-1,6-dihydro-[1,1'-biphenyl]-3(2H)-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": ["CCO"], "agent": ["CC(=O)[O-]"]} |
Using tributyl(vinyl)stannane, tert-butyl (3-heptyl-5-iodo-2,6-dimethylpyridin-4-yl) carbonate to produce tert-butyl (3-heptyl-2,6-dimethyl-5-vinylpyridin-4-yl) carbonate, 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", "ClC(Cl)Cl"], "agent": ["[Cl-]", "[Li+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using bromoethane, 2-(methyl(phenyl)amino)ethan-1-ol to produce N-(2-ethoxyethyl)-N-methylaniline, 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": ["[K+]", "[OH-]"]} |
Using iodomethane, N-methyl-N-(4-(2,2,2-trifluoro-1-hydroxy-1-(1-(2-methoxyethyl)-1H-pyrrol-2-yl)ethyl)phenyl)benzenesulfonamide to produce N-methyl-N-(4-(2,2,2-trifluoro-1-methoxy-1-(1-(2-methoxyethyl)-1H-pyrrol-2-yl)ethyl)phenyl)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": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using ethylacetate, 5-(iodomethyl)-4-methyl-2-(4-(trifluoromethyl)phenyl)thiazole to produce ethyl 3-(4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-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": ["CN1CCCN(C)C1=O", "C1CCOC1"], "agent": ["CC(C)[N-]C(C)C", "[Li+]"]} |
Using 5-bromo-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-3-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-2-methylbenzamide, p-tolylboronic acid to produce N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-5-(ethyl(tetrahydro-2H-pyran-4-yl)amino)-4,4'-dimethyl-[1,1'-biphenyl]-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": ["C1COCCO1", "O"], "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 7-(3-hydroxy-5-oxo-2-styrylcyclopent-1-en-1-yl)heptanoic acid, periodate to produce 7-(2-formyl-3-hydroxy-5-oxocyclopent-1-en-1-yl)heptanoic 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", "O"], "agent": ["O=[Os](=O)(=O)=O", "[Na+]"]} |
Using ethyl (2-cyanoethyl)(dipropoxymethyl)phosphinate to produce ethyl (3-aminopropyl)(dipropoxymethyl)phosphinate, 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": ["N", "[Ni]"]} |
Using N-(2-(4-(trifluoromethyl)phenyl)propan-2-yl)acetamide to produce 2-(4-(trifluoromethyl)phenyl)propan-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": ["CCOCC", "OCCO"], "agent": ["[K+]", "Cl", "[OH-]"]} |
Using 7-(3-((3-isopropylphenyl)carbamoyl)phenyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxylic acid, 3-morpholinopropan-1-amine to produce 7-(3-((3-isopropylphenyl)carbamoyl)phenyl)-N-(3-morpholinopropyl)-5,6,7,8-tetrahydro-2,7-naphthyridine-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": ["ClCCCl", "CCN(CC)CC"], "agent": ["CCCP(=O)=O", "CN(C)c1ccncc1"]} |
Using ethyl 3-cyclopropyl-3-(6-((6-(2-fluoro-5-methoxyphenyl)-5-hydroxypyridin-3-yl)methoxy)pyrimidin-4-yl)propanoate, 1-bromo-2,2-dimethylpropane to produce ethyl 3-cyclopropyl-3-(6-((6-(2-fluoro-5-methoxyphenyl)-5-(neopentyloxy)pyridin-3-yl)methoxy)pyrimidin-4-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", "O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using (4-phenoxyphenyl)boronic acid, tert-butyl 3-(4-amino-3-iodo-1H-pyrazolo[3,4-d]pyrimidin-1-yl)piperidine-1-carboxylate to produce tert-butyl 3-(4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-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": ["C1COCCO1", "O"], "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 (R)-3-methylbutan-2-amine, 3-(2-((3-(diethylamino)propyl)amino)-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl)-4-methylbenzoic acid to produce (R)-3-(2-((3-(diethylamino)propyl)amino)-8-(2,6-difluorophenyl)-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-4-yl)-4-methyl-N-(3-methylbutan-2-yl)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": ["CN(C)C=O", "CCN(CC)CC"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2ccccc21)=[N+](C)C"]} |
Using tert-butyl 5-amino-3-(3,5-dimethoxyphenethyl)-1H-pyrazole-1-carboxylate, methyl 4-(4-acetylpiperazin-1-yl)benzoate to produce 4-(4-acetylpiperazin-1-yl)-N-(5-(3,5-dimethoxyphenethyl)-1H-pyrazol-3-yl)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": ["C1CCOC1"], "agent": ["C[Si](C)(C)[N-][Si](C)(C)C", "[Na+]"]} |
Using tert-butyl 4-(4-(6-cyanopyridin-3-yl)-9H-carbazol-9-yl)-2-fluorobenzoate, 3-aminopropan-1-ol to produce tert-butyl 4-(4-(6-cyanopyridin-3-yl)-9H-carbazol-9-yl)-2-((3-hydroxypropyl)amino)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 4-phenyl-1H-indole to produce 4-phenylindoline, 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", "O=C(O)C(F)(F)F"], "agent": ["[BH3-]C#N", "[Na+]", "[OH-]"]} |
Using (R)-1-(4-bromophenyl)ethan-1-amine, (5-chloro-2-ethoxyphenyl)boronic acid to produce (R)-1-(5'-chloro-2'-ethoxy-[1,1'-biphenyl]-4-yl)ethan-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", "ClCCl"], "agent": ["CC(=O)[O-]", "[Pd+2]"]} |
Using tert-butyl 3-oxoazetidine-1-carboxylate, thf to produce tert-butyl 3-hydroxy-3-methylazetidine-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", "O"], "agent": ["C[Mg]Br"]} |
Using pyridin-4-ylboronic acid, 4-(3-iodobenzyl)-3-oxo-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-carbaldehyde to produce 3-oxo-4-(3-(pyridin-4-yl)benzyl)-3,4-dihydro-2H-benzo[b][1,4]oxazine-6-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": ["CN(C)C=O", "O"], "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 tert-butyl 2-(isobutyl((9-((tetrahydro-2H-pyran-2-yl)oxy)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)methyl)carbamoyl)morpholine-4-carboxylate to produce tert-butyl 2-(((9-hydroxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-2-yl)methyl)(isobutyl)carbamoyl)morpholine-4-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": ["c1cc[nH+]cc1", "Cc1ccc(S(=O)(=O)[O-])cc1"]} |
Using tert-butyl 2-((6-acetamido-3-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)thio)-2-methylpropanoate, phenylboronic acid to produce tert-butyl 2-((6-acetamido-3-phenyl-5,6,7,8-tetrahydronaphthalen-2-yl)thio)-2-methylpropanoate, 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", "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 4-(4-chloro-2-fluorophenyl)nicotinaldehyde to produce (4-(4-chloro-2-fluorophenyl)pyridin-3-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": ["C1CCOC1", "CO"], "agent": ["[Na+]", "[BH4-]"]} |
Using tert-butyl 6-hydroxy-6-methyl-4-(1-methyl-4-nitro-1H-pyrazol-5-yl)-1,4-diazepane-1-carboxylate to produce tert-butyl 4-(4-amino-1-methyl-1H-pyrazol-5-yl)-6-hydroxy-6-methyl-1,4-diazepane-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": ["CO"], "agent": ["[Pd]"]} |
Using methyl benzo[c][1,2,5]thiadiazole-5-carboxylate, piperidine to produce benzo[c][1,2,5]thiadiazol-5-yl(piperidin-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": ["ClCCl"], "agent": ["C[Al](C)C"]} |
Using (2-amino-5-(2-(4-chlorophenyl)-1,3-dioxolan-2-yl)phenyl)(3-chlorophenyl)methanol, 2-bromoacetyl bromide to produce 2-bromo-N-(2-((3-chlorophenyl)(hydroxy)methyl)-4-(2-(4-chlorophenyl)-1,3-dioxolan-2-yl)phenyl)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": ["ClCCl"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using 3-hydroxy-4-methoxybenzaldehyde, 3-chlorocyclopent-1-ene to produce 3-(cyclopent-2-en-1-yloxy)-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"], "agent": ["[Na+]", "[H-]"]} |
Using 3-(5,5-dimethyl-1,3-dioxan-2-yl)-1-(4-fluorophenyl)propan-1-one, 4-amino-N-methylbenzenesulfonamide to produce 4-(2-(4-fluorophenyl)-1H-pyrrol-1-yl)-N-methylbenzenesulfonamide, 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": ["Cc1ccc(S(=O)(=O)O)cc1"]} |
Using 2-(1H-imidazol-4-yl)isonicotinamide, 2-ethoxyphenethyl methanesulfonate to produce 2-(1-(2-ethoxyphenethyl)-1H-imidazol-4-yl)isonicotinamide, 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 ethyl 4,4,4-trifluoro-3-oxobutanoate, 2,4-dimethoxyaniline to produce 6,8-dimethoxy-2-(trifluoromethyl)quinolin-4-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": ["O", "c1ccccc1"], "agent": ["Cc1ccc(S(=O)(=O)O)cc1"]} |
Using 2-benzyl-4,5-dimethyl-4-propyl-1,2,5-thiadiazolidin-3-one 1,1-dioxide to produce 4,5-dimethyl-4-propyl-1,2,5-thiadiazolidin-3-one 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": ["CO"], "agent": ["O=C[O-]", "[NH4+]", "[Pd]"]} |
Using 2',3'-dihydro-4'H-spiro[cyclohexane-1,1'-naphthalene]-4,4'-dione to produce 3',4'-dihydro-2'H-spiro[cyclohexane-1,1'-naphthalen]-4-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", "OCCO"], "agent": ["[K+]", "NN", "[OH-]"]} |
Using N-(2-(1-(chloromethyl)-5-nitro-2,3-dihydro-1H-benzo[e]indole-3-carbonyl)-1H-indol-5-yl)acetamide to produce N-(2-(5-amino-1-(chloromethyl)-2,3-dihydro-1H-benzo[e]indole-3-carbonyl)-1H-indol-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": ["C1CCOC1"], "agent": ["O=[Pt]=O"]} |
Using aceticanhydride, 2-nitro-1-phenylpropan-1-ol to produce 2-nitro-1-phenylpropyl 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", "CO"], "agent": ["CN(C)c1ccncc1"]} |
Using N-(6-methoxypyridin-3-yl)-6-(4-(morpholinomethyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine to produce 5-((6-(4-(morpholinomethyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino)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": ["CCOC(C)=O", "ClC(Cl)Cl"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using 1-(4-((5-nitropyridin-2-yl)oxy)phenyl)ethan-1-one, glycol to produce 2-(4-(2-methyl-1,3-dioxolan-2-yl)phenoxy)-5-nitropyridine, 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"], "agent": ["CC1(C)C2CCC1(CS(=O)(=O)O)C(=O)C2"]} |
Using tert-butyl (4-chloro-3'-hydroxy-[1,1'-biphenyl]-3-yl)carbamate to produce 3'-amino-4'-chloro-[1,1'-biphenyl]-3-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(C)O"], "agent": ["Cl"]} |
Using ethyl carbonochloridate, 5-aminopentanoic acid to produce 5-((methoxycarbonyl)amino)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": ["C1COCCO1", "O"], "agent": ["O=C([O-])[O-]", "[K+]", "Cl"]} |
Using (3-(4-((4-cyclopropylbenzyl)oxy)-3-methoxyphenyl)azetidin-1-yl)(4-hydroxypyridin-2-yl)methanone, (R)-(2,2-dimethyl-1,3-dioxolan-4-yl)methyl 4-methylbenzenesulfonate to produce (S)-(3-(4-((4-cyclopropylbenzyl)oxy)-3-methoxyphenyl)azetidin-1-yl)(4-((2,2-dimethyl-1,3-dioxolan-4-yl)methoxy)pyridin-2-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": ["CN(C)C=O", "O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using methyl (3-amino-4-((cyclopropylmethyl)amino)phenyl)carbamate, 2-(4-ethoxyphenyl)acetic acid to produce methyl (1-(cyclopropylmethyl)-2-(4-ethoxybenzyl)-1H-benzo[d]imidazol-5-yl)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 1-bromo-3-iodobenzene, (4-phenylnaphthalen-1-yl)boronic acid to produce 1-(3-bromophenyl)-4-phenylnaphthalene, 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", "COCCOC"], "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 aceticacid, 2,4-dichloro-6-methylquinazoline to produce 2-chloro-6-methylquinazolin-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": ["C1CCOC1"], "agent": ["[Na+]", "[OH-]"]} |
Using 4-(3-bromopropoxy)-3-methoxybenzamide, 6-fluoro-3-(piperidin-4-yl)benzo[d]isoxazole to produce 4-(3-(4-(6-fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)propoxy)-3-methoxybenzamide, 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-]", "[K+]"]} |
Using methyl 2-(2-(4-(3-ethylureido)phenyl)-4-morpholino-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl)-6-methylpyrimidine-4-carboxylate to produce 2-(2-(4-(3-ethylureido)phenyl)-4-morpholino-5,8-dihydropyrido[3,4-d]pyrimidin-7(6H)-yl)-6-methylpyrimidine-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": ["CO"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using ethyl N-allyl-N-(3-benzylureido)glycinate to produce N-(3-benzylureido)-N-methylglycine, 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": ["[Li+]", "[OH-]"]} |
Using 4-((2,4-dichlorophenyl)amino)-7,8-dimethoxybenzo[g]quinoline-3-carbonitrile to produce 4-((2,4-dichlorophenyl)amino)-7,8-dihydroxybenzo[g]quinoline-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": ["c1ccncc1"], "agent": ["[NH4+]", "Cl", "[OH-]"]} |
Using dioxane, 3-(4-bromophenyl)propanoic acid to produce methyl 3-(4-bromophenyl)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": ["CO"], "agent": ["Cl"]} |
Using aceticanhydride, 3-bromoaniline to produce N-(3-bromophenyl)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": ["ClCCl", "CCN(CC)CC"], "agent": ["CN(C)c1ccncc1"]} |
Using 6-methoxychromane-3-carbonitrile to produce (6-methoxychroman-3-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": ["CCOCC"], "agent": ["[Al+3]", "[Li+]", "[H-]"]} |
Using iodomethane, (R)-3-(4-(benzyloxy)-2,6-dichlorobenzyl)-1-((1r,4R)-4-hydroxycyclohexyl)pyrrolidin-2-one to produce (R)-3-(4-(benzyloxy)-2,6-dichlorobenzyl)-1-((1r,4R)-4-methoxycyclohexyl)pyrrolidin-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 ethyl 1-cyclopropyl-4-(6-hydroxypyridin-3-yl)-2-(4-(trifluoromethoxy)phenyl)-1H-imidazole-5-carboxylate to produce 1-cyclopropyl-4-(6-hydroxypyridin-3-yl)-2-(4-(trifluoromethoxy)phenyl)-1H-imidazole-5-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-(benzyloxy)-6,7-difluoroquinazoline-2,4(1H,3H)-dione, (bromomethyl)cyclopropane to produce 3-(benzyloxy)-1-(cyclopropylmethyl)-6,7-difluoroquinazoline-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": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using chlorotriisopropylsilane, (5-bromo-1,3,4-thiadiazol-2-yl)methanol to produce 2-bromo-5-(((triisopropylsilyl)oxy)methyl)-1,3,4-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": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["c1c[nH]cn1"]} |
Using (2-(benzyloxy)phenyl)(4-chlorophenyl)methanol to produce 1-(benzyloxy)-2-(4-chlorobenzyl)benzene, 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": ["CC[SiH](CC)CC"]} |
Using 2-((dimethylamino)methyl)-6,7-dimethyl-3,4-dihydronaphthalen-1(2H)-one, 1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one to produce 8-((6,7-dimethyl-1-oxo-1,2,3,4-tetrahydronaphthalen-2-yl)methyl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-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": ["CCO"], "agent": ["Cl"]} |
Using 5-(1-butoxyethyl)-N4-cyclopropyl-N2-(1H-indazol-6-yl)-7-tosyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine to produce 5-(1-butoxyethyl)-N4-cyclopropyl-N2-(1H-indazol-6-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-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": ["C1COCCO1"], "agent": ["[K+]", "[OH-]"]} |
Using ethyl 2-(bromomethyl)acrylate, methanethiol to produce ethyl 2-((methylthio)methyl)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": ["CCO", "O"], "agent": ["[Na]"]} |
Using 4-chloro-2-hydroxybenzaldehyde, tert-butyl 4-((2-oxo-4-(vinylsulfonyl)piperazin-1-yl)methyl)piperidine-1-carboxylate to produce tert-butyl 4-((4-((7-chloro-2H-chromen-3-yl)sulfonyl)-2-oxopiperazin-1-yl)methyl)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(C)(C)O"], "agent": ["CC(C)(C)[O-]", "[K+]"]} |
Using (3R,5R)-3,5-dihydroxy-7-((1S,2S,6S,8S,8aR)-6-hydroxy-2-methyl-8-(((S)-2-methylbutanoyl)oxy)-1,2,6,7,8,8a-hexahydronaphthalen-1-yl)heptanoic acid to produce 3-hydroxy-8-(2-(4-hydroxy-6-oxotetrahydro-2H-pyran-2-yl)ethyl)-7-methyl-1,2,3,7,8,8a-hexahydronaphthalen-1-yl 2-methylbutanoate, 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=C1CCC(=O)N1O", "C(=NC1CCCCC1)=NC1CCCCC1"]} |
Using 5-(4-butyryl-2,3-dichlorophenoxy)pentanoic acid, dimethylamine to produce 5-(2,3-dichloro-4-(2-methylenebutanoyl)phenoxy)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": ["CN(C)C=O", "CC(=O)O"], "agent": ["Cl", "C=O"]} |
Using 2-chloroacetaldehyde, N-(adamantan-1-ylmethyl)-3-amino-2-chlorobenzamide to produce N-(adamantan-1-ylmethyl)-2-chloro-3-((2-chloroethyl)amino)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": ["O", "CO"], "agent": ["[BH3-]C#N", "[Na+]", "Cl"]} |
Using 2-(chloromethyl)-1-propyl-1H-imidazole, 7-(4-(2-butoxyethoxy)phenyl)-N-(4-hydroxyphenyl)-1-isobutyl-2,3-dihydro-1H-benzo[b]azepine-4-carboxamide to produce 7-(4-(2-butoxyethoxy)phenyl)-1-isobutyl-N-(4-((1-propyl-1H-imidazol-2-yl)methoxy)phenyl)-2,3-dihydro-1H-benzo[b]azepine-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": ["O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]", "Cl"]} |
Using 1,11-dibromoundecane, 4-(4-hydroxycyclohexyl)phenol to produce 4-(4-((11-bromoundecyl)oxy)phenyl)cyclohexan-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": ["CCC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using ((2-nitrophenyl)sulfonyl)-L-alanyl-L-proline to produce ((2-aminophenyl)sulfonyl)-L-alanyl-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": ["CCO"], "agent": ["[H][H]", "[C]", "[Pd]"]} |
Using diisopropylamide, 2-(2-methoxy-4-(trifluoromethyl)phenyl)-4,4-dimethyl-4,5-dihydrooxazole to produce 2-(2-methoxy-3-methyl-4-(trifluoromethyl)phenyl)-4,4-dimethyl-4,5-dihydrooxazole, 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 (1-(2-methoxy-4-nitrophenyl)-1H-imidazol-4-yl)methanol to produce (1-(4-amino-2-methoxyphenyl)-1H-imidazol-4-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": ["CCOC(C)=O", "CO"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using ethanol, 2-(tert-butyl)-5-(4-(dibromomethyl)-2-fluorophenyl)isothiazolidin-3-one 1,1-dioxide to produce 4-(2-(tert-butyl)-1,1-dioxido-3-oxoisothiazolidin-5-yl)-3-fluorobenzaldehyde, 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=[N+]([O-])[O-]", "[Ag+]"]} |
Using N-(((1R,2R)-2-(3-methoxyphenyl)cyclopropyl)methyl)butyramide, N-(((1R,2R)-2-(3-hydroxyphenyl)cyclopropyl)methyl)butyramide to produce N-(((1R,2R)-2-(3-(allyloxy)phenyl)cyclopropyl)methyl)butyramide, 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 6,6-dimethyl-2-methylenebicyclo[3.1.1]heptane, hydrogen sulfite to produce (S)-(4-isopropylcyclohex-1-en-1-yl)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": ["O", "CC(C)O"], "agent": ["[NH4+]"]} |
Using 3-(4-(((tert-butyldiphenylsilyl)oxy)methyl)piperidin-1-yl)propyl acetate to produce 3-(4-(hydroxymethyl)piperidin-1-yl)propyl 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": ["C1CCOC1"], "agent": ["[F-]", "CCCC[N+](CCCC)(CCCC)CCCC"]} |
Using 3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione to produce (3R,4R)-3-(5,6-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-1-yl)-4-(1H-indol-3-yl)pyrrolidine-2,5-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": ["CCOC(C)=O", "CO"], "agent": ["[Mg]"]} |
Using (1-methylpyrrolidin-2-yl)methanol, 3,5-dinitropyridine to produce (S)-3-((1-methylpyrrolidin-2-yl)methoxy)-5-nitropyridine, 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": ["[Cl-]", "[Na+]", "[H-]"]} |
Using 4-vinylphenyl acetate to produce 4-vinylphenol, 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": ["[K+]", "[OH-]"]} |
Using 3,5-bis(trifluoromethyl)aniline, CNC(=N)NC#N to produce CNC(=N)NC(=N)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1, 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 N1,N1-dimethylpropane-1,3-diamine, 3-(2-oxo-2-phenylethyl)tetrahydro-4H-thiopyran-4-one to produce N,N-dimethyl-3-(2-phenyl-6,7-dihydrothiopyrano[4,3-b]pyrrol-1(4H)-yl)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", "CCOCC"], "agent": ["Cl"]} |
Using 6-carbamimidoylnaphthalen-2-yl 5-(aminomethyl)furan-2-carboxylate, dihydro-2H-pyran-2,6(3H)-dione to produce 5-(((5-(((6-carbamimidoylnaphthalen-2-yl)oxy)carbonyl)furan-2-yl)methyl)amino)-5-oxopentanoic 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": ["CN(C)C=O"], "agent": ["CC(=O)[O-]", "[Na+]", "Cl"]} |
Using (bromomethyl)benzene, 3-(hydroxymethyl)cyclohexan-1-ol to produce 3-((benzyloxy)methyl)cyclohexan-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": ["CCCCCC", "CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using 4-(benzyloxy)benzenesulfonic acid, oxalyl dichloride to produce 4-(benzyloxy)benzenesulfonyl chloride, 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", "ClCCl"], "agent": ["[Na]"]} |
Using 3-(4-methoxyphenyl)-1-methyl-6-(trifluoromethyl)pyrimidine-2,4(1H,3H)-dione to produce 3-(4-hydroxyphenyl)-1-methyl-6-(trifluoromethyl)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": ["ClCCl"], "agent": ["BrB(Br)Br"]} |
Using cyclopropanamine, (3R,4R)-1-benzyl-4-methylpyrrolidine-3-carboxylic acid to produce (3R,4R)-1-benzyl-N-cyclopropyl-4-methylpyrrolidine-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"], "agent": ["CCN=C=NCCCN(C)C", "Cl"]} |
Using N-(2-amino-6-chloro-4-hydroxyphenyl)tetrahydrofuran-3-carboxamide to produce 7-chloro-2-(tetrahydrofuran-3-yl)-1H-benzo[d]imidazol-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": ["O", "CO"], "agent": ["Cc1ccc(S(=O)(=O)O)cc1"]} |
Using (3R,5S)-5-((cyclopropylamino)methyl)pyrrolidin-3-ol, (Z)-5-((5-((2,6-dichlorobenzyl)sulfonyl)-2-oxoindolin-3-ylidene)methyl)-2,4-dimethyl-1H-pyrrole-3-carboxylic acid to produce (Z)-3-((4-((2S,4R)-2-((cyclopropylamino)methyl)-4-hydroxypyrrolidine-1-carbonyl)-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", "ClCCCl"], "agent": ["On1nnc2ccccc21"]} |
Using 2-methoxyacetic acid, tert-butyl ((R)-2-((tert-butyldimethylsilyl)oxy)-2-(pyridin-3-yl)ethyl)(((S)-6-(3-sulfamoylphenyl)chroman-2-yl)methyl)carbamate to produce tert-butyl ((R)-2-((tert-butyldimethylsilyl)oxy)-2-(pyridin-3-yl)ethyl)(((S)-6-(3-(N-(2-methoxyacetyl)sulfamoyl)phenyl)chroman-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": ["ClCCl"], "agent": ["CCN=C=NCCCN(C)C", "CN(C)c1ccncc1"]} |
Using 1-benzyl-2H-pyrido[2,3-d][1,3]oxazine-2,4(1H)-dione, diethyl propanedioate to produce ethyl 1-benzyl-4-hydroxy-2-oxo-1,2-dihydro-1,8-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": ["CC(=O)N(C)C"], "agent": ["[Na+]", "Cl", "[H-]"]} |
Using decane-1-thiol, 2,5-dichloro-6-(hydroxy((2-hydroxyethyl)imino)methyl)-3,4-bis(p-tolylthio)benzoic acid to produce 2,5-bis(decylthio)-6-(hydroxy((2-hydroxyethyl)imino)methyl)-3,4-bis(p-tolylthio)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": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using chlorotriisopropylsilane, 5-bromo-1H-pyrrolo[2,3-b]pyridine to produce 5-bromo-1-(triisopropylsilyl)-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": ["O", "CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using 4-methylmorpholine 4-oxide, 5-allyl-4-chloro-6-(pyridin-2-yl)pyrimidine to produce 2-(4-chloro-6-(pyridin-2-yl)pyrimidin-5-yl)acetaldehyde, 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=[Os](=O)(=O)=O"]} |
Using 4-((6-(2,3-bis(benzyloxy)phenyl)hexyl)oxy)-3-chlorobenzoic acid to produce 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": ["C1CCOC1"], "agent": ["[H][H]", "[Pd]"]} |
Using (4-formylphenyl)boronic acid, 4-bromo-1-(tris(4-methoxyphenyl)methyl)-1H-pyrazole to produce 4-(1-(tris(4-methoxyphenyl)methyl)-1H-pyrazol-4-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": ["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 1-(4-(3-amino-1-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea to produce 1-(4-(1-methyl-1H-pyrazolo[3,4-b]pyridin-4-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)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": ["CCO"], "agent": ["O=S(=O)(O)O", "O=N[O-]", "[Na+]"]} |
Using ethyl 2-(diethoxyphosphoryl)propanoate, 1-(pyridin-3-yl)-1H-indole-3-carbaldehyde to produce ethyl 2-methyl-3-(1-(pyridin-3-yl)-1H-indol-3-yl)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": ["C1CCOC1"], "agent": ["CC(C)[N-]C(C)C", "[Li+]"]} |
Using 2,2-dimethyl-3-thiocyanatopropane-1-sulfonamide to produce 3-mercapto-2,2-dimethylpropane-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": ["CCO"], "agent": ["[Na+]", "[BH4-]"]} |
Using 3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxylic acid, 3-aminobenzamide to produce N-(3-carbamoylphenyl)-3-(3-chloro-2-fluorophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-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", "CCN(C(C)C)C(C)C"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using 1H-benzo[d]imidazole-2-thiol, 2-(chloromethyl)-N,N-dimethylaniline to produce 2-(((1H-benzo[d]imidazol-2-yl)thio)methyl)-N,N-dimethylaniline, 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 1-(2-methoxyphenyl)piperazine, 5-chloro-2-nitroaniline to produce 5-(4-(2-methoxyphenyl)piperazin-1-yl)-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": ["O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[K+]", "Cl"]} |
Using 5-(2-(benzyloxy)-4-(phenylsulfonyl)phenyl)-1,2,5-thiadiazolidin-3-one 1,1-dioxide to produce 5-(2-hydroxy-4-(phenylsulfonyl)phenyl)-1,2,5-thiadiazolidin-3-one 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": ["ClCCl"], "agent": ["[K]", "BrB(Br)Br"]} |
Using 2-(3,4-dimethoxyphenyl)acetonitrile to produce 2-(3,4-dimethoxyphenyl)ethan-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": ["[Ni]", "N"]} |
Using 8-bromooctanoic acid, methanethiolate to produce 8-(methylthio)octanoic 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": ["CO"], "agent": ["[Na+]"]} |
Using methyl 4-((2R,3R,4R,5S)-3-(3-bromophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxamido)benzoate to produce 4-((2R,3R,4R,5S)-3-(3-bromophenyl)-4-(4-chloro-2-fluorophenyl)-4-cyano-5-neopentylpyrrolidine-2-carboxamido)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": ["C1CCOC1", "CO"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
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