problem
stringlengths 236
970
| answer
stringlengths 34
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|---|---|
Using COc1ccc(CN2C(=O)CN(c3cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc4ccccc4)c3)S2(=O)=O)cc1 to produce COc1ccc(CN2C(=O)CN(c3cccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)c3)S2(=O)=O)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O", "CCO"], "agent": ["[H][H]", "[Pd]"]} |
Using O=C([O-])[O-], O=C1CC2(CCCC2)c2ccc(O)cc21 to produce COc1ccc2c(c1)C(=O)CC21CCCC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CI", "CC(C)=O"], "agent": ["[K+]"]} |
Using O=[N+]([O-])c1cc(Br)ccc1F to produce Nc1cc(Br)ccc1F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO", "O"], "agent": ["[Na+]", "[OH-]"]} |
Using O=Cc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2, [NH3+]O to produce ON=Cc1ccc2c(c1)N(C1CCN(CCc3ccc(F)cc3)CC1)CC2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["[Cl-]", "[Na+]", "CC(=O)[O-]"]} |
Using Cc1cc([N+](=O)[O-])ccc1CO, BrP(Br)Br to produce Cc1cc([N+](=O)[O-])ccc1CBr, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using N#Cc1cccc(C(=O)Cl)c1, CC(=O)c1c(O)cc(N2CCOCC2)cc1O to produce N#Cc1cccc(-c2cc(=O)c3c(O)cc(N4CCOCC4)cc3o2)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": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using COC(=O)c1cc2[nH]c(-c3ccccc3)c(C3CCCCC3)c2s1 to produce O=C(O)c1cc2[nH]c(-c3ccccc3)c(C3CCCCC3)c2s1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using CS(=O)(=O)Cl, Nc1cc(F)cc(I)c1 to produce CS(=O)(=O)Nc1cc(F)cc(I)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": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl", "CCN(CC)CC"], "agent": ["Cl"]} |
Using COC(=O)CBr, COc1ccc(S(=O)(=O)n2cc(O)c3cc(Br)ccc32)cc1 to produce COC(=O)COc1cn(S(=O)(=O)c2ccc(OC)cc2)c2ccc(Br)cc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using COc1c(C(=O)N2CCS(=O)(=O)C2)cc(C(=O)N2CS(=O)(=O)c3ccccc32)cc1C(F)(F)F to produce O=C(c1cc(C(=O)N2CS(=O)(=O)c3ccccc32)cc(C(F)(F)F)c1O)N1CCS(=O)(=O)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": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Cl-]", "[Li+]", "Cl"]} |
Using COC(=O)C(C)Oc1cc(-n2nc(C)n(C(F)F)c2=O)c(F)cc1Cl to produce Cc1nn(-c2cc(OC(C)C(=O)O)c(Cl)cc2F)c(=O)n1C(F)F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CCO"], "agent": ["[K+]", "Cl", "[OH-]"]} |
Using Nc1cc2nc(-c3ccccc3)cn2cn1, Cn1ncc(Cl)c1C(=O)O to produce Cn1ncc(Cl)c1C(=O)Nc1cc2nc(-c3ccccc3)cn2cn1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "CCN(C(C)C)C(C)C"], "agent": ["CN(C)C(On1nnc2ccccc21)=[N+](C)C", "F[B-](F)(F)F"]} |
Using CCOC(=O)Cn1nccc1-c1ncccc1COc1cnc(OC)cc1C=O to produce COc1cc(C=O)c(OCc2cccnc2-c2ccnn2CC(=O)O)cn1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using O=C1CCc2cc(OCCCCBr)ccc2N1, Sc1ccccn1 to produce O=C1CCc2cc(OCCCCSc3ccccn3)ccc2N1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CS(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using C[C@H](O)CCCCn1c(=O)c2c(nc(CNC(=O)OC(C)(C)C)n2Cc2ccccc2)n(C)c1=O to produce C[C@H](O)CCCCn1c(=O)c2[nH]c(CNC(=O)OC(C)(C)C)nc2n(C)c1=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["[H][H]", "[Pd]"]} |
Using CC(C)(C#N)c1ccc(Nc2c([N+](=O)[O-])cnc3ccc(Cl)cc23)cc1 to produce CC(C)(C#N)c1ccc(Nc2c(N)cnc3ccc(Cl)cc23)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Ni]"]} |
Using Nc1nc(-c2cccc([N+](=O)[O-])c2)cs1, O=S(=O)(Cl)c1ccc(Cl)c(Cl)c1 to produce O=[N+]([O-])c1cccc(-c2csc(NS(=O)(=O)c3ccc(Cl)c(Cl)c3)n2)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": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["c1ccncc1"], "agent": ["Cl"]} |
Using CC(=O)O, O=c1[nH]c2c(n3ccnc13)/C(=N/O)c1ccccc1-2 to produce CC(=O)NC1c2ccccc2-c2[nH]c(=O)c3nccn3c21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CN(C)C=O"], "agent": ["C", "[Zn]"]} |
Using COC(=O)c1ccc(-n2cncn2)cc1C(F)(F)F to produce O=C(O)c1ccc(-n2cncn2)cc1C(F)(F)F, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[Na+]", "[OH-]"]} |
Using CC(O)c1cnccc1-c1ccc(Cl)cc1F to produce CC1Oc2cc(Cl)ccc2-c2ccncc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using C[NH+](C)CCOS(C)(=O)=O, CCOC(=O)c1ccc(O)cc1 to produce CCOC(=O)c1ccc(OCCN(C)C)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(=O)O", "COCCOC"], "agent": ["[Cl-]", "[Na+]", "[OH-]"]} |
Using CCC(NC(=O)N(C)C)C1CCC2(CC1)OCCO2 to produce CCC(NC(=O)N(C)C)C1CCC(=O)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N"], "agent": ["Cl"]} |
Using CN(C)C1CCN(c2ccc([N+](=O)[O-])cc2/C=C2\SC(=O)NC2=O)C1 to produce CN(C)C1CCN(c2ccc(N)cc2/C=C2\SC(=O)NC2=O)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": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Fe]", "Cl"]} |
Using CCOCc1nc2cnc3cc(Br)ccc3c2n1CCCCNC(=O)OC(C)(C)C to produce CCOCc1nc2cnc3cc(Br)ccc3c2n1CCCCN, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["Cl"]} |
Using C[C@H]1CN(Cc2cccc(-c3cc(CN)ccc3F)c2)CCN1C(=O)OC(C)(C)C, CCCC(C(=O)O)C(=O)NCc1c(CC)nc2c(cnn2CC)c1NC1CCOCC1 to produce CCCC(C(=O)NCc1ccc(F)c(-c2cccc(CN3CCN(C(=O)OC(C)(C)C)[C@@H](C)C3)c2)c1)C(=O)NCc1c(CC)nc2c(cnn2CC)c1NC1CCOCC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl", "CCN(CC)CC"], "agent": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2ccccc21)=[N+](C)C"]} |
Using CC[C@@H]1C[C@H](NS(=O)(=O)C2CC2)CN1C(=O)OC(C)(C)C to produce CC[C@@H]1C[C@H](NS(=O)(=O)C2CC2)CN1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1"], "agent": ["Cl"]} |
Using CN1CCc2cc3c(cc2C1)nc(Cl)n[n+]3[O-], CC[Sn](CC)(CC)CC to produce CCc1nc2cc3c(cc2[n+]([O-])n1)CCN(C)C3, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["COCCOC"], "agent": ["N#N", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using CCCN, CCCc1nc2cnc3ccccc3c2n1CCCC(=O)OCC to produce CCCNC(=O)CCCn1c(CCC)nc2cnc3ccccc3c21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl", "Cc1ccccc1"], "agent": ["C[Al](C)C"]} |
Using Nc1cc(B(O)O)cc([N+](=O)[O-])c1, OC1(c2ncc(Br)s2)CCC1 to produce Nc1cc(-c2cnc(C3(O)CCC3)s2)cc([N+](=O)[O-])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": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["COCCOC"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using CC(C)CC=O, CC(O)CCS to produce CC(C)CC1OC(C)CCS1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCNCC", "ClCCl"], "agent": ["Cc1ccc(S(=O)(=O)O)cc1"]} |
Using COCCN(C)c1cc(Cl)c(F)c(CNC(=O)OC(C)(C)C)c1 to produce COCCN(C)c1cc(Cl)c(F)c(CN)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": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1", "CO"], "agent": ["Cl"]} |
Using Cc1c(C(=O)O)ccc2c1C1(CCS2(=O)=O)OCCO1 to produce Cc1c(C(=O)O)ccc2c1C(=O)CCS2(=O)=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CC(C)=O"], "agent": ["Cl"]} |
Using CC(=O)NCc1cc(F)ccc1S(N)(=O)=O to produce NCc1cc(F)ccc1S(N)(=O)=O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["Cl"]} |
Using C[C@H](Oc1ccc(B(O)O)cc1)[C@H](O)CCc1cccnc1, NC(=O)Nc1ccc(Br)cc1 to produce C[C@H](Oc1ccc(-c2ccc(NC(N)=O)cc2)cc1)[C@H](O)CCc1cccnc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "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 COc1ccc(Br)c(CC2CCN(CCc3ccc(NC(=O)OC(C)(C)C)cc3)CC2)c1 to produce COc1ccc(Br)c(CC2CCN(CCc3ccc(N)cc3)CC2)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": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1"], "agent": ["Cl"]} |
Using O=C(c1ccc(-c2cc(Cl)c(CC3CCN(C4CCCCC4)C3=O)c(Cl)c2)cc1)N1CCNCC1, CC(=O)Cl to produce CC(=O)N1CCN(C(=O)c2ccc(-c3cc(Cl)c(CC4CCN(C5CCCCC5)C4=O)c(Cl)c3)cc2)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl"], "agent": ["[Na+]", "[OH-]"]} |
Using Nc1ccc(O)cc1[N+](=O)[O-] to produce Nc1ccc(O)cc1N, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[Pd]"]} |
Using CCO, CCCCOC(=O)N1CCN(C(=O)CNC(=O)c2nc(-c3ccccc3)sc2NCCC(=O)O)CC1 to produce CCCCOC(=O)N1CCN(C(=O)CNC(=O)c2nc(-c3ccccc3)sc2NCCC(=O)OCC)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O"], "agent": ["O=S(=O)(O)O"]} |
Using COC(=O)[C@H](C)NC(=O)Cc1cccc([N+](=O)[O-])c1 to produce C[C@H](NC(=O)Cc1cccc([N+](=O)[O-])c1)C(=O)O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1", "O"], "agent": ["[Li+]", "[OH-]"]} |
Using CCOC(=O)Cn1c(-c2cccc(Cl)c2)nc2cccnc21 to produce O=C(O)Cn1c(-c2cccc(Cl)c2)nc2cccnc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO", "O"], "agent": ["[Na+]", "[OH-]"]} |
Using O=C([O-])O, COc1cc(C(=O)O)c(N)cc1-c1ccccc1 to produce COC(=O)c1cc(OC)c(-c2ccccc2)cc1N, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClC(Cl)Cl", "CO"], "agent": ["O=S(=O)(O)O", "[Na+]"]} |
Using COc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccc(Cl)cc3)C[C@@H]2C)cc1 to produce COc1ccc(C(=O)N2c3ccccc3[C@H](N(C(C)=O)c3ccccc3)C[C@@H]2C)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CO"], "agent": ["[Pd]"]} |
Using CN1C(=O)Cc2ccsc2S1(=O)=O, Cc1cc([N+](=O)[O-])ccc1N=C=O to produce Cc1cc([N+](=O)[O-])ccc1NC(=O)C1=C(O)N(C)S(=O)(=O)c2sccc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CS(C)=O", "CCN(CC)CC"], "agent": ["Cl"]} |
Using ClCCN1CCCC1, COc1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2c1ccc(O)cc1 to produce COc1ccc2c(c1)CCN(C(=O)C(F)(F)F)C2c1ccc(OCCN2CCCC2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["[Na+]", "Cl", "[H-]"]} |
Using CI, CCOC(=O)N1CCc2c(nc3ccccc3c2C)C(O)C1 to produce CCOC(=O)N1CCc2c(nc3ccccc3c2C)C(OC)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": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[Na]", "[H-]"]} |
Using O=[N+]([O-])c1ccc(Cl)cc1F, Nc1ccccc1 to produce O=[N+]([O-])c1ccc(Cl)cc1Nc1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CS(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using CC(=O)c1ccc(C#CCO)c(C)c1C to produce C#Cc1ccc(C(C)=O)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["[Na+]", "[OH-]"]} |
Using CC(=O)OC(C)=O, O=[N+]([O-])c1cccc2c(F)cccc12 to produce CC(=O)Nc1cccc2c(F)cccc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(=O)O"], "agent": ["[Fe]"]} |
Using CCCCCCCCCCCCCCOC(=O)CNC(=O)[C@@H]1CCCN1, CC(C)(C)OC(=O)N[C@@H](Cc1cscn1)C(=O)N1CCC[C@H]1C(N)=O to produce CCCCCCCCCCCCCCOC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cscn1)NC(=O)OC(C)(C)C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["On1nnc2ccccc21", "C(=NC1CCCCC1)=NC1CCCCC1"]} |
Using Nc1nc(Cc2ccccc2)no1, O=C=O to produce Nc1nc(C(C(=O)O)c2ccccc2)no1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCCCCC", "C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using OCCO, CC(=O)c1ccc(N)cc1 to produce CC1(c2ccc(N)cc2)OCCO1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "Cc1ccccc1"], "agent": ["Cc1ccc(S(=O)(=O)O)cc1"]} |
Using CC(=O)OCCN(C(=O)C1COC(C)(C)O1)c1c(I)c(COC(C)=O)c(I)c(C(=O)NCC(COC(C)=O)OC(C)=O)c1I to produce O=C(NCC(O)CO)c1c(I)c(CO)c(I)c(N(CCO)C(=O)C(O)CO)c1I, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using CC(C)(C)OC(=O)Nc1ccc(O)c(F)c1, NC(=O)c1cc(Cl)cc(C(N)=O)n1 to produce CC(C)(C)OC(=O)Nc1ccc(Oc2cc(C(N)=O)nc(C(N)=O)c2)c(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": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["CC(C)(C)[O-]", "O=C([O-])[O-]", "[K+]"]} |
Using NNc1cccc([N+](=O)[O-])c1, CCOC(=O)C(C)=O to produce CCOC(=O)/C(C)=N/Nc1cccc([N+](=O)[O-])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": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO"], "agent": ["Cl"]} |
Using c1ccc(C(c2ccccc2)N2CCNCC2)cc1, O=C(CBr)Nc1ccc2ncnn2n1 to produce O=C(CN1CCN(C(c2ccccc2)c2ccccc2)CC1)Nc1ccc2ncnn2n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N", "CCOC(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using CI, CCS(=O)(=O)NCCOc1cncc(-c2ccc3c(c2)CCC(=O)N3C)c1 to produce CCS(=O)(=O)N(C)CCOc1cncc(-c2ccc3c(c2)CCC(=O)N3C)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": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using O=C(O)[C@@H]1C[C@@H](O)CN1, O=C(OCC1c2ccccc2-c2ccccc21)ON1C(=O)CCC1=O to produce O=C(O)[C@@H]1C[C@@H](O)CN1C(=O)OCC1c2ccccc2-c2ccccc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "C1CCOC1"], "agent": ["O=C([O-])[O-]", "[Na+]"]} |
Using O=C(O)c1c[nH]c2cc(-c3cccc4ccccc34)nn2c1=O to produce O=c1cc[nH]c2cc(-c3cccc4ccccc34)nn12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CS(C)=O"], "agent": ["[Cl-]", "[Na+]"]} |
Using CC(C)(C)OC(=O)N1CCCC1C(=O)O, N#Cc1ccc(N)cc1 to produce CC(C)(C)OC(=O)N1CCCC1C(=O)Nc1ccc(C#N)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOCC", "c1ccncc1"], "agent": ["O=C(Cl)C(=O)Cl"]} |
Using Cc1ccc(S(=O)[O-])cc1, COC(=O)c1ccc(-c2nc(CCl)cs2)cc1 to produce COC(=O)c1ccc(-c2nc(CS(=O)(=O)c3ccc(C)cc3)cs2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]"]} |
Using CCB(CC)CC, COc1ccc(CC#N)cc1Br to produce CCc1cc(CC#N)ccc1OC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using COc1ccc([N+](=O)[O-])c(C=C2NC(=O)NC2=O)c1 to produce COc1ccc2nc3[nH]c(=O)[nH]c3cc2c1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "CO"], "agent": ["[Pd]", "II"]} |
Using CC(C)(C)OC(=O)N1CCN(c2cncc(C(F)(F)F)c2)CC1 to produce FC(F)(F)c1cncc(N2CCNCC2)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": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1"], "agent": ["Cl"]} |
Using O=C1CCC(=O)N1Br, CCc1ncc2ccccc2n1 to produce BrCc1ncc2ccccc2n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClC(Cl)Cl"], "agent": ["O=C(OOC(=O)c1ccccc1)c1ccccc1"]} |
Using CC(C)(C)[Si](C)(C)OCCO, CCOC(=O)[C@H](Cc1ccc(OCCCOc2ccc(C(=O)c3ccc(O)cc3)cc2)cc1)OC to produce CCOC(=O)[C@H](Cc1ccc(OCCCOc2ccc(C(=O)c3ccc(OCCO[Si](C)(C)C(C)(C)C)cc3)cc2)cc1)OC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["Cc1ccccc1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CC(C)OC(=O)N=NC(=O)OC(C)C"]} |
Using O=Cc1ccccc1, CC(C)=O to produce O=C(C=Cc1ccccc1)C=Cc1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO", "O"], "agent": ["[Na+]", "[OH-]"]} |
Using Oc1ccc(CCCn2ccnc2)cc1, Cc1ccc(-c2nc(CCl)co2)s1 to produce Cc1ccc(-c2nc(COc3ccc(CCCn4ccnc4)cc3)co2)s1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using CC1=CC=CC1, CO[Si](C)(CCCCl)OC to produce CO[Si](C)(CCCC1C=CC(C)=C1)OC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOCC"], "agent": ["[Na+]", "[H-]"]} |
Using NC(=O)C1Cc2ccccc2N1 to produce NCC1Cc2ccccc2N1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Al+3]", "[Li+]", "[H-]"]} |
Using Nc1cc(N)cc(C(F)(F)F)c1, O=C(O)CCCCl to produce Nc1cc(NC(=O)CCCCl)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": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl", "CCN(C(C)C)C(C)C"], "agent": ["On1nnc2ccccc21"]} |
Using Nc1ccc(C(=O)Nc2ccc(Br)cn2)cc1[N+](=O)[O-] to produce Nc1ccc(C(=O)Nc2ccc(Br)cn2)cc1N, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Ni]"]} |
Using CC1(C)OC(=O)C2OC21 to produce CC1(C)OC(=O)CC1O, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[H][H]", "[Pd]"]} |
Using Cc1cc(=O)c(OCc2ccccc2)c(C(=O)NCC2CCCCC2)n1C1CC1 to produce Cc1cc(=O)c(O)c(C(=O)NCC2CCCCC2)n1C1CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO", "CO"], "agent": ["[H][H]", "[Pd]"]} |
Using Clc1ncncc1Br, NC(=O)C1CCNCC1 to produce NC(=O)C1CCN(c2ncncc2Br)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "CCN(CC)CC"], "agent": ["[Na+]", "Cl", "O=C([O-])O"]} |
Using CCOC(=O)N1c2c(cc(C)nc2C)C(=NO)CC1CC to produce CCOC(=O)N1c2c(cc(C)nc2C)C(N)CC1CC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC(=O)O"], "agent": ["[Zn]"]} |
Using NCCc1c[nH]cn1, CC(C)c1ccc(C=O)cc1 to produce CC(C)c1ccc(C2NCCc3[nH]cnc32)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["O", "CCO"], "agent": ["[K+]", "Cl", "[OH-]"]} |
Using COP(=O)(CNC(=O)[C@H](C)N)OC, C[C@H](NC(=O)OCc1ccccc1)C(=O)O to produce COP(=O)(CNC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)OCc1ccccc1)OC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O", "CCN(CC)CC"], "agent": ["Cl"]} |
Using O=C(Cl)CC12CCC(c3ccccc31)c1ccccc12, c1ccc2ncccc2c1 to produce N#CC(O)CC12CCC(c3ccccc31)c1ccccc12, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["Cc1ccccc1C"], "agent": ["[S]", "[H][H]", "[Pd]"]} |
Using CC(C)(C)OC(=O)N1CCN(Cc2c3c(cc4c2O/C(=C\c2n[nH]c5ccccc25)C4=O)OCO3)CC1 to produce O=C1/C(=C/c2n[nH]c3ccccc23)Oc2c1cc1c(c2CN2CCNCC2)OCO1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1", "ClCCl"], "agent": ["Cl"]} |
Using Cc1cc2c(cc1[N+](=O)[O-])N1C(=NNC(=O)C1C)CO2 to produce Cc1cc2c(cc1N)N1C(=NNC(=O)C1C)CO2, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1", "CO"], "agent": ["[Cl-]", "[NH4+]", "[Zn]"]} |
Using Cn1c(S)nc2ccsc2c1=O, CC(=O)Oc1ccc(C(=O)c2ccc(CBr)cc2)cc1 to produce CC(=O)Oc1ccc(C(=O)c2ccc(CSc3nc4ccsc4c(=O)n3C)cc2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCO", "O"], "agent": ["[Na+]", "[OH-]"]} |
Using Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc3cc(F)c(F)cc3nc2N2CCC[C@@H]2[C@H]2CC[C@H](CCOCc3ccccc3)CC2)n1 to produce Cn1nnc(N(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)Cc2cc3cc(F)c(F)cc3nc2N2CCC[C@@H]2[C@H]2CC[C@H](CCO)CC2)n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl"], "agent": ["BrB(Br)Br"]} |
Using CC(C)(C)OC(=O)NC1CCNCC1, O=C(O)CO to produce CC(C)(C)OC(=O)NC1CCN(C(=O)CO)CC1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl", "CCN(CC)CC"], "agent": ["On1nnc2ccccc21", "Cl"]} |
Using COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3ccccc3N)n2)cc1, COc1ccc(B(O)O)cn1 to produce COc1ccc(CN(Cc2ccc(OC)cc2)c2nc(C)nc(-c3ccccc3Nc3ccc(OC)nc3)n2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl", "CCN(C(C)C)C(C)C"], "agent": ["[Cu+2]", "CC(=O)[O-]"]} |
Using CC(=O)Nc1nc(S(=O)(=O)Nc2c(Cl)cccc2Cl)n[nH]1 to produce Nc1nc(S(=O)(=O)Nc2c(Cl)cccc2Cl)n[nH]1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["Cl"]} |
Using NC1Cc2ccccc2C1, COc1cc(C(=O)N2Cc3ccc(C(=O)C(Cl)(Cl)Cl)n3Cc3ccccc32)ccc1-c1ccccc1C to produce COc1cc(C(=O)N2Cc3ccc(C(=O)NC4Cc5ccccc5C4)n3Cc3ccccc32)ccc1-c1ccccc1C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCN(CC)CC"], "agent": ["Cl"]} |
Using c1cn(C2CCNC2)nn1, C[C@H]1COc2c(F)c(F)cc3c(=O)c(C(=O)O)cn1c23 to produce C[C@H]1COc2c(N3CCC(n4ccnn4)C3)c(F)cc3c(=O)c(C(=O)O)cn1c23, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N", "C1CCC2=NCCCN2CC1"], "agent": ["Cl"]} |
Using CCCOC(=O)c1ccc2c(c1)COc1cc(F)ccc1C2=C(C)C#N to produce C/C(C#N)=C1/c2ccc(CO)cc2COc2cc(F)ccc21, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Li+]", "Cl", "[BH4-]"]} |
Using O=[N+]([O-])c1cc(Cl)c(Oc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)c(Cl)c1 to produce Nc1cc(Cl)c(Oc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)c(Cl)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": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1COCCO1"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using COc1ccc2[nH]c(C)c(CCN3CCCCC3CC3CCCCC3)c2c1, COc1ccccc1C(=O)Cl to produce COc1ccc2c(c1)c(CCN1CCCCC1CC1CCCCC1)c(C)n2C(=O)c1ccccc1OC, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[Na]", "[H-]"]} |
Using CC(C)C(=O)C(C(=O)c1ccc(F)cc1O)c1ccc(Cl)cc1 to produce CC(C)c1oc2cc(F)ccc2c(=O)c1-c1ccc(Cl)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O", "CC(=O)O"], "agent": ["[NH4+]", "Cl", "[OH-]"]} |
Using OCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1, Cc1nc2ccc(Cl)nn2n1 to produce Cc1nc2ccc(OCCCN3CCC(OC(c4ccccc4)c4ccccc4)CC3)nn2n1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["CC(C)(C)[O-]", "[Na+]"]} |
Using COC(=O)CCCCCC[C@@H]1[C@@H](C=O)[C@H](OC2CCCCO2)C[C@@H]1OC(C)=O, CCCCC(F)(F)C(=O)CP(=O)(OC)OC to produce CCCCC(F)(F)C(=O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)OC)[C@@H](OC(C)=O)C[C@H]1OC1CCCCO1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using COc1cc2ncc3c(c2cc1OC(CNC(=O)OCC[Si](C)(C)C)c1cccs1)n(-c1ccc(C#N)cc1F)c(=O)n3C to produce COc1cc2ncc3c(c2cc1OC(CN)c1cccs1)n(-c1ccc(C#N)cc1F)c(=O)n3C, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CS(C)=O"], "agent": ["[F-]", "[Cs+]"]} |
Using CN1CCC(N)CC1, CC(C)Oc1cc(F)ccc1[N+](=O)[O-] to produce CC(C)Oc1cc(NC2CCN(C)CC2)ccc1[N+](=O)[O-], please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CCOC(C)=O", "CS(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using Fc1ccccc1, OC1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 to produce c1ccc(OC2CCN(c3nc(-c4ccccc4)nc4ccccc34)CC2)cc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using Clc1ncccc1OCCOC1CCCCO1, CN1CCC[C@H]1CO to produce CN1CCC[C@H]1COc1ncccc1OCCO, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["Cc1ccccc1", "CC(C)(C)O"], "agent": ["CC(C)(C)[O-]", "[K+]"]} |
Using CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)NCC3, ClCC1CC1 to produce CC(=O)c1ccc2c(c1)[C@@]13CCCC[C@H]1[C@@H](C2)N(CC1CC1)CC3, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CN(C)C=O"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using COC(=O)C1(C)COCCC1=N[C@H](C)c1ccccc1 to produce COC(=O)C1(C)COCC[C@H]1N[C@H](C)c1ccccc1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["CC#N", "CC(=O)O"], "agent": ["CC(=O)O[BH-](OC(C)=O)OC(C)=O", "[Na+]"]} |
Using COC[C@H](C)Oc1cc(Oc2ccc(C(=O)N3CCC3)cc2F)cc(-c2ccc(C3=NC[C@H](C)O3)[nH]2)c1 to produce C[C@H]1CN=C(c2ccc(-c3cc(Oc4ccc(C(=O)N5CCC5)cc4F)cc(O[C@@H](C)CO)c3)[nH]2)O1, please predict the condition, including solvent and agent in SMILES notation in json format like:
```json
{
"solvent": [
"CCN(CC)CC",
"CCOC(C)=O"
],
"agent": ["[Na+]", "[H-]"]
}
```
| {"solvent": ["ClCCl"], "agent": ["[Na+]", "O=C([O-])O", "BrB(Br)Br"]} |
Subsets and Splits