problem
stringlengths 236
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Using Fc1ccc(-c2nn3c(c2-c2ccncc2)NNCC3)cc1, O=C(O)Cc1c[nH]c2ccccc12 to produce O=C(Cc1c[nH]c2ccccc12)N1CCn2nc(-c3ccc(F)cc3)c(-c3ccncc3)c2N1, 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": ["CCN=C=NCCCN(C)C", "On1nnc2ccccc21"]} |
Using CCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CC1CCOCC1 to produce CCc1nc2cnc3cc(O)ccc3c2n1CC1CCOCC1, 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", "CO"], "agent": ["[Pd]"]} |
Using COC(=O)c1ccc(Oc2ccccc2[N+](=O)[O-])cc1C(=O)OC to produce COC(=O)c1ccc(Oc2ccccc2N)cc1C(=O)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": ["ClCCl"], "agent": ["[Pd]"]} |
Using O=C(O)C(F)(F)C(F)Br, CC(C)Oc1ccc(-c2nc(-c3ccc4[nH]ccc4c3)no2)cc1Cl to produce CC(C)Oc1ccc(-c2nc(-c3ccc4c(ccn4C(F)C(F)(F)C(=O)O)c3)no2)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": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using O=Cc1c(O)cccc1F, CC(C)I to produce CC(C)Oc1cccc(F)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": ["CN(C)C=O", "CCOCC"], "agent": ["O=C([O-])[O-]", "[K+]", "[Cs+]"]} |
Using C[O-], CCCCCNc1nc(N)c2nc(Br)n(C3CCCCO3)c2n1 to produce CCCCCNc1nc(N)c2nc(OC)n(C3CCCCO3)c2n1, 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+]"]} |
Using Brc1ccc2c(c1)OCC2, CN(C)C=O to produce O=Cc1ccc2c(c1)OCC2, 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 CCOC(=O)CNC(=O)CCc1c[nH]c2c(-c3noc(-c4ccc(OC(C)C)c(Cl)c4)n3)cccc12 to produce CC(C)Oc1ccc(-c2nc(-c3cccc4c(CCC(=O)NCC(=O)O)c[nH]c34)no2)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": ["C1CCOC1"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using CCOC(=O)c1sc(NC(=O)OC(C)(C)C)nc1C to produce Cc1nc(NC(=O)OC(C)(C)C)sc1C(=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 O=C(Cc1ccc(F)cc1)N1CC(N2CCOCC2)CN1C(=O)c1ccnc(Oc2ccccc2)n1 to produce O=c1c(-c2ccc(F)cc2)c(-c2ccnc(Oc3ccccc3)n2)n2n1CC(N1CCOCC1)C2, 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=C1CCc2nc3cc(C#Cc4cccc(F)c4)ccc3c(=O)n2C1 to produce O=c1c2ccc(C#Cc3cccc(F)c3)cc2nc2n1CC(O)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": ["C1CCOC1"], "agent": ["[Na+]", "[BH4-]"]} |
Using O=C1CCC(=O)N1Br, Cc1ccc(F)c(C(C)(C)C)c1 to produce CC(C)(C)c1cc(CBr)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": ["ClC(Cl)(Cl)Cl"], "agent": ["O=C(OOC(=O)c1ccccc1)c1ccccc1"]} |
Using O=C(O)c1ccccc1F, O=[N+]([O-])c1cnc(OC2CCNCC2)c2ccccc12 to produce O=C(c1ccccc1F)N1CCC(Oc2ncc([N+](=O)[O-])c3ccccc23)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": ["On1nnc2ccccc21", "C(=NC1CCCCC1)=NC1CCCCC1"]} |
Using C=CCCC=C, C[SiH](C)Cl to produce CCCCC=C[Si](C)(C)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": ["Cc1ccccc1C"], "agent": ["[Pt]"]} |
Using CCCOc1ccc(Br)cc1CNCC, N#Cc1ccc(Cl)nn1 to produce CCCOc1ccc(Br)cc1CN(CC)c1ccc(C#N)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": ["CCOC(C)=O", "CN1CCCC1=O"], "agent": ["[Na+]", "Cl", "O=C([O-])O"]} |
Using CC(C)(C)OC(=O)N[C@@H](Cc1ccncc1)C(=O)O, CCN(C(C)C)C(C)C to produce CC(C)(C)OC(=O)N[C@H](Cc1ccncc1)C(=O)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": ["C1CCNC1", "ClCCl"], "agent": ["CC(C)COC(=O)Cl"]} |
Using O=C(O)c1cccc(CCl)c1, C=CCCOCc1ccc(C(=O)O)cc1 to produce CCCOCc1cccc(C(=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": ["CCCO"], "agent": ["[Na+]", "[H-]"]} |
Using CCOC(=O)COC1C2OC3(OCC45CC6C(C)CCC6C6(C=O)CC4C=C(C(C)C)C65C(=O)OC(c4ccccc4)c4ccccc4)OC2OC1C3O to produce CCOC(=O)COC1C2OC3(OCC45CC6C(C)CCC6C6(C=O)CC4C=C(C(C)C)C65C(=O)O)OC2OC1C3O, 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": ["[C]", "[Pd]"]} |
Using O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)=C(CBr)CS[C@H]12, O=C([O-])CCCO to produce O=C(Cc1cccs1)NC1C(=O)N2C(C(=O)OC(c3ccccc3)c3ccccc3)C(COC(=O)CCCO)=CS[C@H]12, 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", "CN(C)P(=O)(N(C)C)N(C)C"], "agent": ["[Na+]"]} |
Using O=C(Cl)OCC(Cl)(Cl)Cl, Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1 to produce Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)OCC(Cl)(Cl)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", "O"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using CCOC(=O)c1c(C)nc(N2CCc3ccccc3C2)nc1C to produce Cc1nc(N2CCc3ccccc3C2)nc(C)c1C(=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", "O"], "agent": ["[Na+]", "[OH-]"]} |
Using CC(C)(C)OC(=O)N1CCC(C=O)CC1, CCCNC1CCc2ccc(O)cc2C1 to produce CCCN(CC1CCN(C(=O)OC(C)(C)C)CC1)C1CCc2ccc(O)cc2C1, 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(Cl)Cl"], "agent": ["CC(=O)O[BH-](OC(C)=O)OC(C)=O", "[Na+]"]} |
Using C=CCO[C@H]1Cc2ccc(OC)cc2[C@H]1NC(=O)C(F)(F)F to produce C=CCO[C@H]1Cc2ccc(OC)cc2[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": ["CO"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using CN(C)C=O, Cc1ccn(-c2cccc(F)c2)n1 to produce Cc1nn(-c2cccc(F)c2)cc1C=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=P(Cl)(Cl)Cl"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using N[C@@H](CS)C(=O)O, COC(=O)SCCCN1C(=O)NCC1c1ccccc1 to produce N[C@@H](CSSCCCN1C(=O)NCC1c1ccccc1)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": ["O", "CO"], "agent": ["Cl"]} |
Using Cc1cc(-c2ccccc2)c(O)c(-c2ccccc2)c1, CC1=C(C)C(C)([Ti](Cl)(Cl)Cl)C(C)=C1C to produce CC1=C(C)C(C)([Ti](Cl)(Cl)Oc2c(-c3ccccc3)cc(C)cc2-c2ccccc2)C(C)=C1C, 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+]", "[H-]"]} |
Using CC(C)(C)OC(=O)N[C@H]1CC[C@H](C=CS(C)(=O)=O)CC1 to produce CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCS(C)(=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": ["CO"], "agent": ["[Pd]"]} |
Using Sc1nc2ccccc2[nH]1, O=C(CBr)c1ccccc1 to produce O=C(CSc1nc2ccccc2[nH]1)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": ["CO"], "agent": ["[Na+]", "[OH-]"]} |
Using CCCC[Sn](CCCC)(CCCC)c1cncs1, CS(=O)(=O)N1CCN(Cc2cc3nc(Cl)nc(N4CCOCC4)c3s2)CC1 to produce CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cncs4)nc(N4CCOCC4)c3s2)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)N(C)C"], "agent": ["c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using [NH4+], CCOC(=O)c1cn([C@@H](CSc2cccc3ccccc23)[C@H](C)O)cn1 to produce C[C@H](O)[C@H](CSc1cccc2ccccc12)n1cnc(C(N)=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": ["[OH-]"]} |
Using O=Cc1ccc(C(F)(F)F)cc1, COC(=O)c1ccc(I)cc1 to produce COC(=O)c1ccc(C(O)c2ccc(C(F)(F)F)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": ["CC(C)[Mg]Cl", "N#N"]} |
Using O=C=O, COc1c(Br)ccc2[nH]nc(-c3cccc(F)c3)c12 to produce COc1c(C(=O)O)ccc2[nH]nc(-c3cccc(F)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": ["CCCCCC", "C1CCOC1"], "agent": ["[Cl-]", "[NH4+]", "[Li]CCCC"]} |
Using FCCBr, Clc1ncnc2cc[nH]c12 to produce FCCn1ccc2ncnc(Cl)c21, 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-]", "[Cs+]"]} |
Using C[Si](C)(C)OC1=CC(c2ccc(Cl)nc2)CC1 to produce O=C1CCC(c2ccc(Cl)nc2)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": ["CCOC(C)=O", "C1CCOC1"], "agent": ["[Na+]", "Cl", "O=C([O-])O"]} |
Using C#CCOc1ccc(C[C@H](N)C(=O)O)cc1, NC(Cc1ccccc1)C(=O)O to produce C#CCOC(=O)C(N)Cc1ccc(OCC#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": ["O", "CO"], "agent": ["[Na+]", "Cl", "[OH-]"]} |
Using CCOC(=O)CC[C@@H](NC(=O)CCC(NC(=O)OCc1ccccc1)C(=O)OC(C)(C)C)C(=O)OCC to produce CCOC(=O)CC[C@@H](NC(=O)CCC(N)C(=O)OC(C)(C)C)C(=O)OCC, 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": ["[Pd]"]} |
Using CC(C)n1nc(CN=[N+]=[N-])c(Cc2ccncc2)c1Sc1cc(Cl)cc(Cl)c1 to produce CC(C)n1nc(CN)c(Cc2ccncc2)c1Sc1cc(Cl)cc(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": ["CCOC(C)=O"], "agent": ["[Pd]"]} |
Using O=[N+]([O-])c1ccc(F)c(F)c1F, CCOC(=O)CC(C)=O to produce CC(=O)Cc1c([N+](=O)[O-])ccc(F)c1F, 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 O=C1SC(Cc2ccc(O)cc2)C(=O)N1C(c1ccccc1)(c1ccccc1)c1ccccc1, OCc1nc2cccnc2n1Cc1ccc(-c2ccccc2)cc1 to produce O=C1SC(Cc2ccc(OCc3nc4cccnc4n3Cc3ccc(-c4ccccc4)cc3)cc2)C(=O)N1C(c1ccccc1)(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": ["c1ccccc1"], "agent": ["CCCCP(CCCC)CCCC", "O=C(N=NC(=O)N1CCCCC1)N1CCCCC1"]} |
Using CC(=O)CCC(C)=O, Nc1ccc(Br)cn1 to produce Cc1ccc(C)n1-c1ccc(Br)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": ["CC(=O)O", "C1CCCCC1"], "agent": ["C"]} |
Using COc1cc(N)ccc1-c1nc2c(c(C3CCCCC3)nn2C)c(=O)[nH]1, O=C(Cl)OCCCl to produce COc1cc(N2CCOC2=O)ccc1-c1nc2c(c(C3CCCCC3)nn2C)c(=O)[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", "CCN(CC)CC"], "agent": ["[Na+]", "O=C([O-])O"]} |
Using COc1ccc(CC(Cc2ccc(OC)cc2)N2C(=O)[C@H]([C@@H](C)OC(=O)OCc3ccccc3)[C@H]2[C@@H](C)CO[Si](C)(C)C(C)(C)C)cc1 to produce COc1ccc(CC(Cc2ccc(OC)cc2)N2C(=O)[C@H]([C@@H](C)OC(=O)OCc3ccccc3)[C@H]2[C@@H](C)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": ["CCOC(C)=O", "CO"], "agent": ["Cl"]} |
Using Cc1cc(Cl)ccc1OCC(=O)O to produce Cc1cc(Cl)ccc1OCC(=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": ["[K+]", "[OH-]"]} |
Using CCOCNc1ncccc1C(=O)NCc1ccc(Oc2ccccc2)s1 to produce CNc1ncccc1C(=O)NCc1ccc(Oc2ccccc2)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": ["O", "CS(C)=O"], "agent": ["[Na+]", "[BH4-]"]} |
Using CCOC(=O)c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)c1, Cc1ccnc(Cl)n1 to produce O=C(Cc1ccnc(Cl)n1)c1ccc(F)c(NS(=O)(=O)c2c(F)cccc2F)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": ["C[Si](C)(C)[N-][Si](C)(C)C", "[Li+]"]} |
Using OCC(Cl)(Cl)Cl, CCOC(Cc1ccc(C(C)(C)O[SiH2]C(C)(C)C)cc1)C(=O)O to produce CCOC(Cc1ccc(C(C)(C)O[SiH2]C(C)(C)C)cc1)C(=O)OCC(Cl)(Cl)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": ["ClCCl", "ClCCCl"], "agent": ["CN(C)c1ccncc1", "Cl"]} |
Using CN1CCC(OC(c2cccc(C=O)c2)c2nc3ccccc3[nH]2)CC1 to produce CN1CCC(OC(c2cccc(CO)c2)c2nc3ccccc3[nH]2)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+]", "[BH4-]"]} |
Using CCOC(=O)C1=NCc2c(c3ccccc3n2S(=O)(=O)c2ccc(C)cc2)N1 to produce O=C(O)c1ncc2[nH]c3ccccc3c2n1, 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": ["[C]", "[Pd]"]} |
Using CN1CCN(c2cc(CS(=O)(=O)c3cccc4ccccc34)c([N+](=O)[O-])c(OCCCl)c2)CC1 to produce CN1CCN(c2cc(CS(=O)(=O)c3cccc4ccccc34)c(N)c(OCCCl)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": ["C1CCOC1", "CO"], "agent": ["[Pd]"]} |
Using ClCC1CO1, CC(=O)N1CCc2[nH]nc(-c3ccc(Br)cc3)c2C1 to produce CC(=O)N1CCc2c(c(-c3ccc(Br)cc3)nn2CC2CO2)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": ["CCOC(C)=O", "CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[Cs+]"]} |
Using CC(C)OC(=O)[C@@H](O)[C@@H](Cc1ccccc1)C(=O)OC(C)C to produce O=C(O)[C@@H](O)[C@@H](Cc1ccccc1)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": ["O", "C1CCOC1"], "agent": ["[K+]", "[OH-]"]} |
Using Cc1ccc(S(=O)(=O)OC[C@H]2CCCN2C(=O)OC(C)(C)C)cc1, Oc1ccc(OCc2ccccc2)cc1 to produce CC(C)(C)OC(=O)N1CCCC1COc1ccc(OCc2ccccc2)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 CS(=O)(=O)Cl, O=S(=O)([O-])c1ccc(O)cc1 to produce CS(=O)(=O)Oc1ccc(S(=O)(=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": ["O"], "agent": ["[Cl-]", "[Na+]", "[OH-]"]} |
Using CC(CO)N1CCNCC1, COc1cc(CCc2cc(NC(=O)c3ccc(F)cc3)[nH]n2)cc(OC)c1 to produce COc1cc(CCc2cc(NC(=O)c3ccc(N4CCN(C(C)CO)CC4)cc3)[nH]n2)cc(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": ["CS(C)=O", "CCN(C(C)C)C(C)C"], "agent": ["Cl"]} |
Using CCOC(=O)c1cn(-c2cc(NC(=O)OC(C)(C)C)c(F)cc2F)c2c(Cl)c(F)c(F)cc2c1=O, [N-]=[N+]=[N-] to produce CCOC(=O)c1cn(-c2cc(NC(=O)OC(C)(C)C)c(F)cc2F)c2c(Cl)c(N=[N+]=[N-])c(F)cc2c1=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", "CN(C)C=O"], "agent": ["[Na+]"]} |
Using Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)CSC(c1ccccc1)(c1ccccc1)c1ccccc1 to produce Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)CS, 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", "ClCCl"], "agent": ["CC[SiH](CC)CC"]} |
Using Sc1nc2ccc(Cl)nc2s1, C1CCOC1 to produce CSc1nc2ccc(Cl)nc2s1, 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", "CI"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using COC(=O)CCC(=O)c1ccc(OC)c(OC)c1OC to produce COc1ccc(C(=O)CCC(=O)O)c(OC)c1OC, 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 O=C(N=C=S)c1ccccc1, COc1cc(N)ccc1Cl to produce COc1cc(NC(N)=S)ccc1Cl, 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-]", "[K+]"]} |
Using CC(C)(C)OC(=O)Nc1ccc2c(c1)C(=O)N[C@H](C(=O)O)C2, NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)Cc1c[nH]cn1 to produce CC(C)(C)OC(=O)Nc1ccc2c(c1)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O)C2, 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": ["O=C1CCC(=O)N1O", "C(=NC1CCCCC1)=NC1CCCCC1"]} |
Using COC(=O)c1cc(Cl)cc(NC2CCOCC2)c1C, O=C([O-])[O-] to produce COC(=O)c1cc(Cl)cc(N(C)C2CCOCC2)c1C, 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", "CI"], "agent": ["[Cs+]"]} |
Using [Cl-], O=C(O)CC12CC3CC(CC(C3)C1)C2 to produce O=C(O)CC12CC3CC(CC(Cl)(C3)C1)C2, 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", "CC(C)(C)O"], "agent": ["O=S(=O)(O)O", "[Na+]"]} |
Using Nc1ccn2nc(N3CCCC3)nc2c1, CCOC(=O)c1cnn(C)c1C(=O)O to produce CCOC(=O)c1cnn(C)c1C(=O)Nc1ccn2nc(N3CCCC3)nc2c1, 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", "CCN(C(C)C)C(C)C"], "agent": ["CCCP(=O)=O"]} |
Using O=C1CCN2CCCC2C1, NNc1cccc(Br)c1 to produce Brc1ccc2c3c([nH]c2c1)CC1CCCN1C3, 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 BrCc1ccc(Br)cc1, C=CCCBr to produce C=CCCCc1ccc(Br)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": ["[Mg]", "Cl"]} |
Using COC(=O)c1cnc2snnc2c1 to produce O=C(O)c1cnc2snnc2c1, 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+]", "[OH-]"]} |
Using CCCCCNC(=O)N(C)c1cccc(-c2cnc(C=CC(=O)[O-])nc2)c1 to produce CCCCCNC(=O)N(C)c1cccc(-c2cnc(C=CC(=O)O)nc2)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 COC(=O)c1c2ccccc2[n+](C)c2ccc(Cl)cc12 to produce COC(=O)C1c2ccccc2N(C)c2ccc(Cl)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": ["O", "CO"], "agent": ["[K+]", "[BH4-]", "O=S(=O)([O-])[O-]"]} |
Using CC(C)n1c(C=O)c(-c2ccc(F)cc2)c2ccccc21, CCOP(=O)(CC(=O)N(C)OC)OCC to produce CON(C)C(=O)/C=C/c1c(-c2ccc(F)cc2)c2ccccc2n1C(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": ["O", "C1CCOC1"], "agent": ["[Na+]", "[H-]"]} |
Using On1nnc2ccccc21, CCC1c2sc(C(=O)O)nc2CCN1/C(=N/c1ccccc1)SC to produce CSC(=Nc1ccccc1)N1CCc2nc(C(=O)Nc3ccccc3N)sc2C1, 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": ["CCN=C=NCCCN(C)C"]} |
Using NC(=O)CCl, CC(C)(C)OC(=O)N1CCN(c2ccc(O)c(C=O)c2)CC1 to produce CC(C)(C)OC(=O)N1CCN(c2ccc3oc(C(N)=O)cc3c2)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": ["CN1CCCC1=O"], "agent": ["O=C([O-])[O-]", "[K+]"]} |
Using COc1ccc2cc(Oc3ccc([N+](=O)[O-])cc3)ccc2c1 to produce COc1ccc2cc(Oc3ccc(N)cc3)ccc2c1, 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": ["[Pd]"]} |
Using CC(C)(C)OC(=O)N(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)cc(OCc3ccccc3)c3ccccc32)CC1 to produce CC(C)(C)OC(=O)N(Cc1ccc2c(c1)OCCO2)C1CCN(CCn2c(=O)cc(O)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": ["C1CCOC1", "CO"], "agent": ["[Pd]"]} |
Using CCOC(=O)C(Cc1cnc(N(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c(C)c1)C(O)([PH2]=O)C(NC(=O)OCc1ccccc1)C(C)C to produce Cc1cc(CC(C(=O)O)C(O)([PH2]=O)C(NC(=O)OCc2ccccc2)C(C)C)cnc1NC(=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": ["CC#N", "CO"], "agent": ["[Li+]", "[OH-]"]} |
Using CC(C)(C)CCI, CC(C(=O)O)c1ccccc1 to produce CC(C)(C)CCC(C)(C(=O)O)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)[N-][Si](C)(C)C", "[Li+]"]} |
Using COc1ccc(C)c(N)c1, O=C(Cl)CCl to produce COc1ccc(C)c(NC(=O)CCl)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", "CCN(C(C)C)C(C)C"], "agent": ["Cl"]} |
Using [N-]=[N+]=Nc1ccc(Cl)cc1C(=O)c1ccccc1, NO to produce [N-]=[N+]=Nc1ccc(Cl)cc1C(=NO)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": ["CCO", "c1ccncc1"], "agent": ["Cl"]} |
Using CCC(C)=O, CC1(C)C(CC=O)CC2CC21C to produce CC(=O)C(C)=CCC1CC2CC2(C)C1(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": ["O", "CO"], "agent": ["[K+]", "[OH-]"]} |
Using Brc1ccc(Br)nc1, OB(O)c1ccc(OCc2ccccc2)c(F)c1 to produce Fc1cc(-c2ccc(Br)cn2)ccc1OCc1ccccc1, 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-]", "[Na+]", "c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1"]} |
Using COC(=O)C1=C(NC2CC2)OC(=Cc2c[nH]c3ncccc23)C1=O to produce O=C1C=C(NC2CC2)OC1=Cc1c[nH]c2ncccc12, 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 NO, O=C(O)C(=O)c1ccc(OCCOc2ccc3ccccc3c2)cc1 to produce O=C(O)C(=NO)c1ccc(OCCOc2ccc3ccccc3c2)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+]", "Cl", "[OH-]"]} |
Using CCOC(=O)CBr, O=c1[nH]c2ccccc2c(=O)n1Cc1ccc(Cl)c(Cl)c1 to produce CCOC(=O)Cn1c(=O)n(Cc2ccc(Cl)c(Cl)c2)c(=O)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": ["CN(C)C=O"], "agent": ["[Na+]", "Cl", "[H-]"]} |
Using CC(C)c1cc(Oc2c(Br)cc([N+](=O)[O-])c(C(F)(F)F)c2Br)cc(C=O)c1O to produce Cc1cc(Oc2c(Br)cc([N+](=O)[O-])c(C(F)(F)F)c2Br)cc(C(C)C)c1O, 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"], "agent": ["CC[SiH](CC)CC"]} |
Using O=C1C=CC(=O)C=C1, CCOC(=O)C[Zn]Br to produce CCOC(=O)CC1(O)C=CC(=O)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": ["CCOC(C)=O", "C1CCOC1"], "agent": ["Cl"]} |
Using CN(C)C=NS(=O)(=O)c1ccc(Br)s1, OCC(O)CS to produce NS(=O)(=O)c1ccc(SCC(O)CO)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": ["[Na+]", "[H-]"]} |
Using O=Cc1cc2cnccc2o1 to produce OCc1cc2cnccc2o1, 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+]", "[BH4-]"]} |
Using Nc1ccc(CC(O)c2ccccc2C(=O)O)cc1 to produce O=C(O)c1ccccc1C(O)Cc1ccc(N(Cc2ccccc2)Cc2ccccc2)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 CC(C)(C)OC(=O)NC1(C#Cc2ccc(OCCC3=CCC4CC3C4(C)C)cc2)COC(C)(C)OC1 to produce CC(C)(C)OC(=O)NC1(CCc2ccc(OCCC3=CCC4CC3C4(C)C)cc2)COC(C)(C)OC1, 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": ["[Pd]"]} |
Using CCOC(=O)CCn1nc(-c2cccnc2)c(C#N)c1N to produce N#Cc1c(-c2cccnc2)nn2c1NC(=O)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": ["O", "C1CCOC1"], "agent": ["[Li]CCCC"]} |
Using c1cnc2ccc(Cn3nnc4cnc(-c5cnn(CCOC6CCCCO6)c5)nc43)cc2c1 to produce OCCn1cc(-c2ncc3nnn(Cc4ccc5ncccc5c4)c3n2)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": ["O", "CO"], "agent": ["Cc1ccc(S(=O)(=O)O)cc1"]} |
Using O=C1CCN(c2ccccc2)c2ccccc21, CCOC(=O)OCC to produce CCOC(=O)C1=C(O)c2ccccc2N(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": ["c1ccccc1"], "agent": ["[Na+]", "[H-]"]} |
Using CC(=O)NNC(C)=O, ClCCOCCCl to produce CC(=O)n1ccoccn1C(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": ["CC(C)O", "CS(C)=O"], "agent": ["O=C([O-])[O-]", "[K+]", "[OH-]"]} |
Using COc1cc(C(=O)OC(C)(C)C)ccc1CBr, COc1cc(C(=O)NS(=O)(=O)c2ccccc2)ccc1Cn1cc(CCC(=O)N2CCOCC2)c2ccc(C(=O)NCC3CCCC3)cc21 to produce COc1cc(C(=O)O)ccc1Cn1cc(CCC(=O)N2CCOCC2)c2ccc(C(=O)NCC3CCCC3)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": ["O", "C1COCCN1"], "agent": ["CN(C)c1ccncc1", "Cl"]} |
Using C[Si](C)(C)N1CCCC1=O, c1ccc2c(c1)OCCC1OC21 to produce O=C1CCCN1[C@@H]1c2ccccc2OCC[C@H]1O, 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": ["[F-]", "CCCC[N+](CCCC)(CCCC)CCCC"]} |
Using COc1cccc2cc(CNCCNC(=O)C34CC5CC(CC(C5)C3)C4)oc12 to produce COc1cccc2cc(CN(C)CCNC(=O)C34CC5CC(CC(C5)C3)C4)oc12, 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": ["Cl", "C=O", "[Pd]"]} |
Using CI, CCOC(=O)Cc1cccc(OCOC)c1 to produce CCOC(=O)C(C)c1cccc(OCOC)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 N#Cc1cc(C(F)(F)F)ccc1F, Nc1ccccc1[N+](=O)[O-] to produce N#Cc1cc(C(F)(F)F)ccc1Nc1ccccc1[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": ["CN(C)C=O"], "agent": ["O=C([O-])[O-]", "[Cs+]", "Cl"]} |
Using CCn1nc(C(N)=O)cc1CCS(C)(=O)=O to produce CCn1nc(C#N)cc1CCS(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": ["O=P(Cl)(Cl)Cl"], "agent": ["[NH4+]", "[OH-]"]} |
Using CC(=O)OCC1(COC(C)=O)Sc2cc3c(cc2S1)SC(COC(C)=O)(COC(C)=O)S3 to produce OCC1(CO)Sc2cc3c(cc2S1)SC(CO)(CO)S3, 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(Cn2c3ccccc3c3c(OC(C)(C)C(=O)O)cccc32)ccc1OCc1nc(-c2ccccc2)oc1C to produce COc1cc(Cn2c3ccccc3c3c(OC(C)(C)C(=O)[O-])cccc32)ccc1OCc1nc(-c2ccccc2)oc1C, 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+]", "[OH-]"]} |
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