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stringlengths 236
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| answer
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Using Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cccc(Br)n2)cc2cn[nH]c12, OB(O)c1ccccc1 to produce Cc1cc(CC(NC(=O)N2CCC(N3Cc4ccccc4NC3=O)CC2)c2cccc(-c3ccccc3)n2)cc2cn[nH]c12, 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", "Cc1ccccc1"], "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 O=S(Cl)Cl, N=C(N)NCCC[C@H](NS(=O)(=O)c1ccc2sc3ccccc3c2c1)C(=O)O to produce N=C(N)NCCC[C@H](NS(=O)(=O)c1ccc2sc3ccccc3c2c1)C(=O)Cl, 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": ["N#N"]} |
Using CI, Fc1ccc(-c2nnc(S)nc2-c2ccc(F)cc2)cc1 to produce CSc1nnc(-c2ccc(F)cc2)c(-c2ccc(F)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": ["CCO"], "agent": ["[Na+]", "[OH-]"]} |
Using O=[N+]([O-])c1cnc2ccc(-c3ccccc3)cc2c1Nc1ccccc1Br to produce Nc1cnc2ccc(-c3ccccc3)cc2c1Nc1ccccc1Br, 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 COC(=O)/C(=C/c1cnc2ccccc2c1)NC(=O)c1ccc(C(O)/C=C/c2cccc(O)c2)cc1Cl to produce O=C(O)/C(=C/c1cnc2ccccc2c1)NC(=O)c1ccc(C(O)/C=C/c2cccc(O)c2)cc1Cl, 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": ["[Na+]", "Cl", "[OH-]"]} |
Using COC(=O)c1cnc(O)cn1, O=C([O-])C(F)(F)Cl to produce COC(=O)c1cnc(OC(F)F)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": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[Na+]", "[K+]"]} |
Using O=[N+]([O-])c1ccc(F)c(F)c1Nc1ccccc1 to produce Nc1ccc(F)c(F)c1Nc1ccccc1, 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": ["[Cl-]", "[Fe]", "[NH4+]"]} |
Using COc1ccccc1NC(=O)CC(=O)O, C[Si](C)(C)CCOCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1 to produce COc1ccccc1NC(=O)CC(=O)Nc1ccc(Oc2ccnc3cc(-c4cn(COCC[Si](C)(C)C)cn4)sc23)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", "ClCCCl"], "agent": ["On1nnc2ccccc21"]} |
Using COS(=O)(=O)OC, Sc1ncc2c(n1)-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2 to produce CSc1ncc2c(n1)-c1ccc(Cl)cc1C(c1ccccc1Cl)=NC2, 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 Cn1cnc2ccc(C(O)c3cnc4ccc(Cl)nn34)cc21 to produce Cn1cnc2ccc(C(=O)c3cnc4ccc(Cl)nn34)cc21, 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": ["CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21"]} |
Using CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](/C=C/c3cc4ccc(OCC)c(F)c4c(F)c3F)CC2)CC1 to produce CCCC[C@H]1CC[C@H]([C@H]2CC[C@H](c3ccccc3-c3cc4ccc(OCC)c(F)c4c(F)c3F)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": ["C1CCOC1"], "agent": ["[H][H]", "[C]", "[Pd]"]} |
Using O=S(=O)(c1ccccc1)c1ccc(/C=C/c2ccc(F)cc2F)nc1 to produce O=S(=O)(c1ccccc1)c1ccc(CCc2ccc(F)cc2F)nc1, 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": ["[H][H]", "[OH-]", "[Pd+2]"]} |
Using O=C(NCc1ccc(S(=O)(=O)N2CCC3(CC2)OCCO3)cc1)c1ccc(Cl)cc1 to produce O=C1CCN(S(=O)(=O)c2ccc(CNC(=O)c3ccc(Cl)cc3)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": ["C1CCOC1"], "agent": ["Cl"]} |
Using Clc1cc(Br)c2ncc(Br)n2n1, CNS(=O)(=O)c1ccc(N)cc1 to produce CNS(=O)(=O)c1ccc(Nc2cc(Cl)nn3c(Br)cnc23)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"], "agent": ["CC(C)(C)[O-]", "[K+]"]} |
Using COC(=O)c1cnccc1-c1ccccc1 to produce O=C(O)c1cnccc1-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": ["CCOC(C)=O", "CO"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using NC(=O)c1nc(-c2c(F)cccc2F)oc1-c1ccc(N2CCNCC2)nc1, CN=C=O to produce CNC(=O)N1CCN(c2ccc(-c3oc(-c4c(F)cccc4F)nc3C(N)=O)cn2)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": ["Cl"]} |
Using COc1ccc(S(=O)O)cc1, OB(O)c1cccc2ccccc12 to produce O=S(=O)(c1ccc(O)cc1)c1cccc2ccccc12, 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", "CS(C)=O"], "agent": ["Cl"]} |
Using O=c1occc2cc(O)ccc12, CC[C@H]1CO1 to produce CC[C@H](O)COc1ccc2c(=O)occc2c1, 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": ["[F-]", "[Cs+]"]} |
Using O=C=NC12CC3CC(CC(C3)C1)C2, CSc1ccc(C(OC2CNC2)c2ccccc2C(F)(F)F)cc1 to produce CSc1ccc(C(OC2CN(C(=O)NC34CC5CC(CC(C5)C3)C4)C2)c2ccccc2C(F)(F)F)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": ["O=C([O-])[O-]", "Cl"]} |
Using CC(C)(C)OC(=O)N(CCCOc1cccc2oc(C(=O)O)c(CO)c12)C(C)(C)C, O=C([O-])[O-] to produce COC(=O)c1oc2cccc(OCCCN(C(=O)OC(C)(C)C)C(C)(C)C)c2c1CO, 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", "CI"], "agent": ["[K+]", "Cl"]} |
Using O=C1c2ccccc2C(=O)N1O, OC1CC=CC1 to produce O=C1c2ccccc2C(=O)N1OC1CC=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"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)N=NC(=O)OCC"]} |
Using O=C1NC(=O)C(=Cc2ccc(OCCc3ccccc3)cc2)S1, N#CCCl to produce N#CCN1C(=O)SC(=Cc2ccc(OCCc3ccccc3)cc2)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": ["CN(C)C=O"], "agent": ["[Na+]", "[H-]"]} |
Using CCCC(=O)Nc1nn(COCC[Si](C)(C)C)c2cc(-c3ccc(OCc4ccccc4)cc3)c(-c3ccoc3)cc12 to produce CCCC(=O)Nc1n[nH]c2cc(-c3ccc(OCc4ccccc4)cc3)c(-c3ccoc3)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": ["CCOC(C)=O", "C1CCOC1"], "agent": ["[F-]", "CCCC[N+](CCCC)(CCCC)CCCC"]} |
Using N#CCc1ccc2c(c1)Cc1ccccc1-2, CI to produce CC(C#N)c1ccc2c(c1)Cc1ccccc1-2, 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": ["[H][H]", "[Na+]", "[H-]"]} |
Using Nc1ccc(Br)cc1[N+](=O)[O-], II to produce Nc1c(I)cc(Br)cc1[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": ["[Ag+]", "O=S(=O)([O-])[O-]"]} |
Using C1=COCCC1, Cc1cc(Oc2c[nH]nc2C2CC2)cc(C)c1C#N to produce Cc1cc(Oc2cn(C3CCCCO3)nc2C2CC2)cc(C)c1C#N, 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": ["Cc1ccc(S(=O)(=O)O)cc1"]} |
Using CCO, Cc1c2n(c3ccccc13)C(=O)C(C)(Cc1ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c1C)CC2 to produce Cc1c(CCC(C)(Cc2ncn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c2C)C(=O)O)[nH]c2ccccc12, 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+]", "[OH-]"]} |
Using N#Cc1ccc(C(C(O)CCc2ccccc2)n2cncn2)cc1 to produce N#Cc1ccc(C(=CCCc2ccccc2)n2cncn2)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": ["ClP(Cl)(Cl)(Cl)Cl"]} |
Using S=c1n(-c2ccccc2)nc2c3ccccc3nc(Cl)n12 to produce S=c1n(-c2ccccc2)nc2n1CNc1ccccc1-2, 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 CC(C(=O)c1ccc2[nH]c(=O)sc2c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 to produce CC(C(O)c1ccc2[nH]c(=O)sc2c1)N1CCN(c2cccc(C(F)(F)F)c2)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": ["[Na+]", "Cl", "[BH4-]"]} |
Using C[O-], O=C(OCC(F)F)c1ccc(OCC(F)F)nc1Cl to produce COC(=O)c1ccc(OCC(F)F)nc1OC, 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": ["[Na+]"]} |
Using O=P(Oc1ccccc1)(c1ccccc1)c1ccccc1 to produce O=P([O-])(c1ccccc1)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": ["C1CCOC1"], "agent": ["C[Si](C)(C)[O-]", "[K+]"]} |
Using ClCc1ccc(Cl)cc1, c1ccc2c(CCN=c3sc4ccccc4s3)c[nH]c2c1 to produce Clc1ccc(Cn2cc(CCN=c3sc4ccccc4s3)c3ccccc32)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", "COCCOC"], "agent": ["[Na+]", "[H-]"]} |
Using Fc1cc(C(F)(F)F)ccc1Br, c1c[nH]cn1 to produce FC(F)(F)c1ccc(Br)c(-n2ccnc2)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", "ClCCl"], "agent": ["CC(C)(C)[O-]", "[K+]"]} |
Using CCCC(C(=O)OC)c1c(C)nc(-c2ccccc2)nc1-c1ccc(C)c(C)c1 to produce CCCC(C(=O)O)c1c(C)nc(-c2ccccc2)nc1-c1ccc(C)c(C)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": ["CO"], "agent": ["[Na+]", "[OH-]"]} |
Using O=C1Nc2cc(F)ccc2O[C@H](CCOCc2ccccc2)[C@@H]1N(Cc1ccccc1)Cc1ccccc1 to produce N[C@@H]1C(=O)Nc2cc(F)ccc2O[C@@H]1CCO, 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 Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cccc2[nH]ccc12, CC(C)(C)OC(=O)CBr to produce Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1cccc2c1ccn2CC(=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": ["[Na+]", "[H-]"]} |
Using CCCCc1nc(Cl)c(CC=CO)n1Cc1ccc([N+](=O)[O-])cc1 to produce CCCCc1nc(Cl)c(CC=CO)n1Cc1ccc(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": ["CC(=O)O", "CCO"], "agent": ["[Fe]"]} |
Using CCOC(Cc1ccc(OCCN2c3ccccc3Sc3ccccc32)cc1)C(=O)OC to produce CCOC(Cc1ccc(OCCN2c3ccccc3Sc3ccccc32)cc1)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": ["CO"], "agent": ["[Na+]", "[OH-]"]} |
Using [C-]#N, ClCc1csc(-c2ccc(Cl)cc2)n1 to produce N#CCc1csc(-c2ccc(Cl)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": ["CC#N"], "agent": ["[K+]", "C1COCCOCCOCCOCCOCCO1"]} |
Using CN(C)C=O, CC1(C)COC(c2ccc(C(C)(C)C)cc2)=N1 to produce CC1(C)COC(c2ccc(C(C)(C)C)cc2C=O)=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": ["CCCCCC", "C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using COc1ccc2[nH]ccc2c1, O=C1CCNCC1 to produce COc1ccc2[nH]cc(C3CCNCC3)c2c1, 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": ["Cl"]} |
Using O=C(Nc1ccc(Cl)cc1C1=CCN(Cc2ccccc2)CC1)c1ccnc(Cl)c1, CC(Cl)OC(=O)Cl to produce CC(Cl)OC(=O)N1CC=C(c2cc(Cl)ccc2NC(=O)c2ccnc(Cl)c2)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+]", "O=C([O-])O"]} |
Using O=[N+]([O-])[O-], O=C(Nc1ccc(OCc2ccccc2)c(F)c1)c1cnccn1 to produce O=C(Nc1cc(F)c(OCc2ccccc2)cc1[N+](=O)[O-])c1cnccn1, 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=C(O)C(F)(F)F", "ClC(Cl)Cl"], "agent": ["[K+]"]} |
Using Cn1nccc1B1OC(C)(C)C(C)(C)O1, CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(I)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)cc12 to produce CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(-c3ccnn3C)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CO4)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": ["CN(C)C=O"], "agent": ["c1ccc(P(c2ccccc2)[c-]2cccc2)cc1", "Cl[Pd]Cl", "[Fe+2]"]} |
Using COB(OC)OC, OCc1c(Br)cccc1C(F)(F)F to produce OB1OCc2c1cccc2C(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": ["CCCCCC", "C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using CN(c1nc(Cl)ncc1Cl)C1COC2C(O)COC21, Cn1cc(N)cn1 to produce CN(c1nc(Nc2cnn(C)c2)ncc1Cl)C1COC2C(O)COC21, 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": ["CCCCO", "CCN(C(C)C)C(C)C"], "agent": ["Cl"]} |
Using COc1ccc(Cn2c(=O)c3c(Nc4ccc(I)cc4F)n(C)c(=O)c(C)c3n(-c3cccc(C(=O)N4CCC(O)C4)c3)c2=O)cc1 to produce Cc1c(=O)n(C)c(Nc2ccc(I)cc2F)c2c(=O)[nH]c(=O)n(-c3cccc(C(=O)N4CCC(O)C4)c3)c12, 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": ["COc1ccccc1"], "agent": ["[Al+3]", "[Cl-]"]} |
Using NCCOc1ccc2c(ccn2S(=O)(=O)c2ccccc2)c1, CC(=O)Cl to produce CC(=O)NCCOc1ccc2c(ccn2S(=O)(=O)c2ccccc2)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": ["CN(C)c1ccncc1"]} |
Using C#CC(C)(C)O, Cn1c(C(N)=O)nc2c1C1CC(C1)c1ccc(I)cc1-2 to produce Cn1c(C(N)=O)nc2c1C1CC(C1)c1ccc(C#CC(C)(C)O)cc1-2, 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": ["[Cu]I", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using NNc1ccccc1, CSc1ccc(C(=O)CC(=O)C(F)(F)F)cc1 to produce CSc1ccc(-c2cc(C(F)(F)F)nn2-c2ccccc2)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"], "agent": ["Cl"]} |
Using CCOC(=C1C(=O)N(C(C)=O)c2ccccc21)c1ccccc1, CC(=O)c1ccc(N)cc1 to produce CC(=O)c1ccc(N/C(=C2\C(=O)Nc3ccccc32)c2ccccc2)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", "CO"], "agent": ["[Na+]", "[OH-]"]} |
Using Oc1ccccc1O to produce [O-]c1ccccc1[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": ["Cc1ccccc1"], "agent": ["CC(C)[O-]", "[Ti+4]"]} |
Using CN(CCC=C1c2ccccc2CCn2cc(C#N)cc21)C(=O)OCC(Cl)(Cl)Cl to produce CNCCC=C1c2ccccc2CCn2cc(C#N)cc21, 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 Oc1ccc(Br)cc1C(O)c1ccccn1, O=C(OO)c1cccc(Cl)c1 to produce [O-][n+]1ccccc1C(O)c1cc(Br)ccc1O, 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": ["[Na+]", "O=S([O-])[O-]"]} |
Using C1CC2(CCN1)OCCO2, Cc1ccc(S(=O)(=O)OCC(C)c2ccc(C(=O)c3ccccc3)cc2)cc1 to produce CC(CN1CCC2(CC1)OCCO2)c1ccc(C(=O)c2ccccc2)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": ["O=C([O-])[O-]", "[K+]"]} |
Using CC(C)(C)OC(=O)c1ccc(-c2ccoc2)cc1 to produce CC(C)(C)OC(=O)c1ccc(C2CCOC2)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 Fc1ccc(S)cc1, C[Si](C)(C)C#CC(=Nc1ccccc1)SCC1CC1 to produce Fc1ccc(SC=CC(=Nc2ccccc2)SCC2CC2)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": ["O=C([O-])[O-]", "[K+]"]} |
Using COc1ccc(NC(=S)NNC(=O)c2cccs2)cc1 to produce COc1ccc(-n2c(-c3cccs3)n[nH]c2=S)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"], "agent": ["[Na+]", "CC[O-]"]} |
Using CC(=O)O, Cc1cc(=O)cc(C)[nH]1 to produce Cc1cc(=O)c(C=O)c(C)[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": ["ClC(Cl)Cl"], "agent": ["[Na+]", "[OH-]"]} |
Using CC(=O)C(C)(C)C, CC(C)(C)C=O to produce CC(C)(C)C(=O)CC(O)C(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": ["CCCCCC", "C1CCOC1"], "agent": ["CC(C)[N-]C(C)C", "[Li+]"]} |
Using O=c1c2ccc(Br)cc2nc2n1CCCCC2 to produce Brc1ccc2c(c1)N=C1CCCCCN1C2, 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": ["[Zn]", "Cl"]} |
Using COC(=O)c1ccc(-c2ccc(CCN(Cc3ccccc3)C[C@H](OC3CCCCO3)c3ccccc3)cc2)cc1NC(C)=O to produce COC(=O)c1ccc(-c2ccc(CCN(Cc3ccccc3)C[C@H](O)c3ccccc3)cc2)cc1NC(C)=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"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using CC1(CC2Cc3c(cccc3-c3ccc(C(C)(C)C)cc3)C2=O)CCCC1 to produce CC1(CC2=Cc3cccc(-c4ccc(C(C)(C)C)cc4)c3C2)CCCC1, 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", "CO"], "agent": ["O=S(=O)(O)O", "[Na+]", "[BH4-]"]} |
Using Clc1ccccn1, CC(C)=CCOc1ccc(OCCO)cc1 to produce CC(C)=CCOc1ccc(OCCOc2ccccn2)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)P(=O)(N(C)C)N(C)C", "C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using CC(C)Cn1c(=O)n(C)c(=O)c2c(Br)c(C(O)c3cccnc3)sc21 to produce CC(C)Cn1c(=O)n(C)c(=O)c2c(Br)c(C(=O)c3cccnc3)sc21, 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": ["O=[Ru](=O)(=O)[O-]", "CCC[N+](CCC)(CCC)CCC", "C[N+]1([O-])CCOCC1"]} |
Using Cc1cc(F)c(N)cc1O, COc1cc2c(Cl)ncnc2cc1OCc1ccncc1 to produce COc1cc2c(Nc3cc(O)c(C)cc3F)ncnc2cc1OCc1ccncc1, 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(C)O"], "agent": ["Cl"]} |
Using CCOC(=O)c1cn(-c2cccc(-c3c(F)cccc3OC)c2)cn1 to produce COc1cccc(F)c1-c1cccc(-n2cnc(C(=O)O)c2)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": ["[K+]", "[OH-]"]} |
Using CCCCCCCC/C=C\CCCCCCCC(=O)OC, N[C@@H]1CCCC[C@H]1N to produce CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H]1CCCC[C@H]1N, 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": ["c1ccccc1"], "agent": ["C[O-]", "[Na+]"]} |
Using Oc1ccccc1C(F)(F)F, CC(C)(C)O to produce CC(C)(C)c1ccc(O)c(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": ["O", "O=C(O)C(F)(F)F"], "agent": ["O=S(=O)(O)O"]} |
Using CCCI, N#Cc1ccc(Cn2c(=O)[nH]c3cc([N+](=O)[O-])ccc3c2=O)cc1 to produce CCCn1c(=O)n(Cc2ccc(C#N)cc2)c(=O)c2ccc([N+](=O)[O-])cc21, 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": ["O=C([O-])[O-]", "[K+]"]} |
Using NCCCl, CCCOCC(=NO)c1ccc([N+](=O)[O-])cc1 to produce CCCOCC(=NOCCN)c1ccc([N+](=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": ["CN(C)C=O"], "agent": ["[K+]", "Cl", "[OH-]"]} |
Using COC(=O)CCCCCCCCCCCCCCCCCCCCCN1C(=O)c2ccccc2C1=O to produce NCCCCCCCCCCCCCCCCCCCCCC(=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", "CCO"], "agent": ["NN", "Cl"]} |
Using O=Cc1ccc(O)cc1, CC(O)N1CCCCC1 to produce O=Cc1ccc(OCCN2CCCCC2)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", "C1CCOC1"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "OO", "CCOC(=O)/N=N/C(=O)OCC"]} |
Using COc1cc(C)c(S(=O)(=O)N2Cc3ccccc3CC2COCC(=O)[O-])c(C)c1 to produce COc1cc(C)c(S(=O)(=O)N2Cc3ccccc3C[C@H]2COCC(=O)O)c(C)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", "C1CCOC1"], "agent": ["[Na+]", "[OH-]"]} |
Using C[O-], CN(C)c1cccc2c(S(=O)(=O)Nc3ccc(Cl)nn3)cccc12 to produce COc1ccc(NS(=O)(=O)c2cccc3c(N(C)C)cccc23)nn1, 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": ["CN1CCCC1=O", "CO"], "agent": ["[Na+]"]} |
Using CCOC(=O)/C=C/CN1C(=O)C(C)(C(C)C)N=C1c1ccc(CC)cn1 to produce CCc1ccc(C2=NC(C)(C(C)C)C(=O)N2C/C=C/C(=O)O)nc1, 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": ["[Na+]", "[OH-]"]} |
Using COC1CCC(OC)O1, CSc1ccc(F)cc1C(=O)CN to produce CSc1ccc(F)cc1C(=O)Cn1cccc1, 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(=O)O"], "agent": ["Cl"]} |
Using Cc1ccc(S(=O)(=O)Nc2ncc(O)c3cc4cccnc4n23)cc1 to produce Cc1ccc(S(=O)(=O)Nc2nccc3cc4cccnc4n23)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": ["CS(=O)(=O)Cl"]} |
Using O=C(F)c1ccc(F)c(Br)c1 to produce OCc1ccc(F)c(Br)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": ["CC(C)O"], "agent": ["[Na+]", "Cl", "[BH4-]"]} |
Using Cn1nccc1-c1cc(N)ccc1OCCN1CCCC1, O=C(O)c1ccc(C(F)(F)F)cc1 to produce Cn1nccc1-c1cc(NC(=O)c2ccc(C(F)(F)F)cc2)ccc1OCCN1CCCC1, 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": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using C1COCCN1, C[C@H](Nc1ncnc2c1ncn2C1CCCCO1)c1nc2ccc(F)c(C(=O)O)c2n1C1CC1 to produce C[C@H](Nc1ncnc2[nH]cnc12)c1nc2ccc(F)c(C(=O)N3CCOCC3)c2n1C1CC1, 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": ["F[P-](F)(F)(F)(F)F", "CN(C)C(On1nnc2cccnc21)=[N+](C)C"]} |
Using COC(=O)c1sccc1NS(=O)(=O)c1cccc(Br)c1, OB(O)c1ccccc1 to produce COC(=O)c1sccc1NS(=O)(=O)c1cccc(-c2ccccc2)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", "Cc1ccccc1"], "agent": ["[Na+]", "O=C([O-])O", "Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1"]} |
Using COc1cc(C(=O)CS(C)(=O)=O)cc(OC)c1-n1cccc1 to produce COc1cc(C(O)CS(C)(=O)=O)cc(OC)c1-n1cccc1, 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": ["[Na+]", "[OH-]", "[BH4-]"]} |
Using CI, Cc1[nH]c2ccc(OCc3ccccc3)cc2c1-c1cccc(Cl)c1 to produce Cc1c(-c2cccc(Cl)c2)c2cc(OCc3ccccc3)ccc2n1C, 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 CC(C)(C)OC(=O)NCC(=O)N1CCN(C(=O)c2cc(Cl)ccc2Cl)CC1 to produce NCC(=O)N1CCN(C(=O)c2cc(Cl)ccc2Cl)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": ["C1COCCO1"], "agent": ["Cl"]} |
Using CC(=O)OC1CCC(NC(=O)[C@H]2[C@H](c3cccc(Cl)c3F)[C@]3(C(=O)N(C(C)=O)c4cc(Cl)ccc43)[C@H](CC(C)(C)C)N2C(C)=O)CC1 to produce CC(=O)N1[C@@H](CC(C)(C)C)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@@H](c2cccc(Cl)c2F)[C@@H]1C(=O)N[C@H]1CC[C@H](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": ["CO"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using COc1cc(C#N)ccc1O, CC(C)C(=O)Nc1cccc(C2CCN(CC[C@@H](O)c3ccccc3)CC2)c1 to produce COc1cc(C#N)ccc1O[C@@H](CCN1CCC(c2cccc(NC(=O)C(C)C)c2)CC1)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": ["C1CCOC1", "ClC(Cl)Cl"], "agent": ["c1ccc(P(c2ccccc2)c2ccccc2)cc1", "CCOC(=O)N=NC(=O)OCC", "N"]} |
Using COc1ccc(C(O)c2c(C)cc(NC(=O)OC(C)(C)C)cc2C)cc1Cc1ccc(F)cc1 to produce COc1ccc(Cc2c(C)cc(NC(=O)OC(C)(C)C)cc2C)cc1Cc1ccc(F)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", "CO"], "agent": ["[H][H]", "[C]", "[Pd]"]} |
Using CC(C)(C)N, O=[N+]([O-])c1cc(Br)ccc1F to produce CC(C)(C)Nc1ccc(Br)cc1[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": ["CS(C)=O"], "agent": ["[Na+]", "[H-]"]} |
Using CC(C)(C)[Si](C)(C)O[C@H]1CCc2c1ccc(C#N)c2Cc1ccc(Cl)nc1 to produce N#Cc1ccc2c(c1Cc1ccc(Cl)nc1)CC[C@@H]2O, 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": ["[F-]", "CCCC[N+](CCCC)(CCCC)CCCC"]} |
Using CCOC(=O)C(=O)Cc1cc(Br)ncc1[N+](=O)[O-] to produce CCOC(=O)c1cc2cc(Br)ncc2[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": ["CCO", "C1CCOC1"], "agent": ["[Fe]", "[Cl-]", "[NH4+]"]} |
Using COB(OC)OC, Fc1cc(Br)cc2ccccc12 to produce OB(O)c1ccc(F)c2ccccc12, 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]CCCC"]} |
Using CC1(C)C(O)CCC1NC(=O)OCc1ccccc1 to produce CC1(C)C(=O)CCC1NC(=O)OCc1ccccc1, 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": ["CC(=O)OI1(OC(C)=O)(OC(C)=O)OC(=O)c2ccccc21"]} |
Using BrCc1ccccc1, COC(=O)c1cc(OC)nc(OC)c1NS(=O)(=O)c1ccc(OC)cc1 to produce COC(=O)c1cc(OC)nc(OC)c1N(Cc1ccccc1)S(=O)(=O)c1ccc(OC)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+]", "[H-]"]} |
Using Cc1c(C2CNC2)oc2ccccc12, O=C(O)/C=C/c1cnc2c(c1)CCC(=O)N2 to produce Cc1c(C2CN(C(=O)/C=C/c3cnc4c(c3)CCC(=O)N4)C2)oc2ccccc12, 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": ["CCN=C=NCCCN(C)C", "On1nnc2cccnc21", "Cl"]} |
Using CI, CO[C@]12C[C@](C)(c3noc(-c4cncc(Br)c4)n3)CN(C)[C@@H]1Cc1c[nH]c3cccc2c13 to produce CO[C@]12C[C@](C)(c3noc(-c4cncc(Br)c4)n3)CN(C)[C@@H]1Cc1cn(C)c3cccc2c13, 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": ["[Na]"]} |
Using O=C1CCC(=O)N1Br, CNC(=O)/C(=N/OC)c1ccccc1C to produce CNC(=O)/C(=N/OC)c1ccccc1CBr, 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)Cl"], "agent": ["CC(C)(C#N)N=NC(C)(C)C#N"]} |
Using Cc1cc(O[Si](C)(C)C(C)(C)C)cc(C)c1C=O to produce Cc1cc(O)cc(C)c1C=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": ["C1CCOC1"], "agent": ["[F-]", "CCCC[N+](CCCC)(CCCC)CCCC"]} |
Using C[O-], Nc1nc(Cl)c2c(n1)OCC2 to produce COc1nc(N)nc2c1CCO2, 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+]"]} |
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