blc-org/A-secret-data-repo huggingface dataset:
Task: retrosynthesis
products: CC(C)(C)OC(=O)n1cc(COS(C)(=O)=O)c2ccccc21
Answer: CC(C)(C)OC(=O)n1cc(CO)c2ccccc21.CS(=O)(=O)Cl
Task: retrosynthesis
products: COc1nc(-c2cccc(C(F)(F)F)c2)cc(C)c1C(=O)O
Answer: COC(=O)c1c(C)cc(-c2cccc(C(F)(F)F)c2)nc1OC
Task: retrosynthesis
products: CC(=O)Oc1ccc(-c2cc(=O)c3cccnc3o2)cc1
Answer: CC(=O)OC(C)=O.O=c1cc(-c2ccc(O)cc2)oc2ncccc12
Task: retrosynthesis
products: Cc1c(O)cccc1CO
Answer: Cc1c(O)cccc1C(=O)O
Task: retrosynthesis
products: CC1(C)OB(c2ccc(=O)n(CC#N)c2)OC1(C)C
Answer: CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.N#CCn1cc(Br)ccc1=O
Task: retrosynthesis
products: NCCC1(NCc2ccccc2)COC1
Answer: N#CCC1(NCc2ccccc2)COC1
Task: retrosynthesis
products: Nc1ccc(OCc2ccc3ccccc3n2)c(Cl)c1
Answer: O=[N+]([O-])c1ccc(OCc2ccc3ccccc3n2)c(Cl)c1
Task: retrosynthesis
products: CN(C(=O)OC(C)(C)C)C1CCC(CCCCOS(C)(=O)=O)CC1
Answer: CN(C(=O)OC(C)(C)C)C1CCC(CCCCO)CC1.CS(=O)(=O)Cl
Task: retrosynthesis
products: CN1CCC23c4c5ccc(OCCCC#N)c4OC2C(O)C=CC3C1C5
Answer: CN1CCC23c4c5ccc(O)c4OC2C(O)C=CC3C1C5.N#CCCCBr
Task: retrosynthesis
products: O=[N+]([O-])c1ccccc1Oc1ccc(OCc2ccc(F)c(F)c2)cc1
Answer: O=[N+]([O-])c1ccccc1F.Oc1ccc(OCc2ccc(F)c(F)c2)cc1
Task: retrosynthesis
products: CC(C)c1cc(C(=O)O)n(-c2cccc(C#N)c2)n1
Answer: CCOC(=O)c1cc(C(C)C)nn1-c1cccc(C#N)c1
Task: retrosynthesis
products: Nc1c[nH]c2ncc(Br)c(F)c12
Answer: O=[N+]([O-])c1c[nH]c2ncc(Br)c(F)c12
Task: retrosynthesis
products: CS(=O)(=O)Nc1ccccc1
Answer: CS(=O)(=O)Cl.Nc1ccccc1
Task: retrosynthesis
products: CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCN(Cc5ccc(Br)cc5)C4)cc3)oc12
Answer: BrCc1ccc(Br)cc1.CC(C)c1cc(C#N)cc2nc(-c3ccc(C(=O)NCC4CCNC4)cc3)oc12
Task: retrosynthesis
products: Cc1oc(-c2ccc(N)cc2)nc1CCOc1ccc(CCC(=O)OC(C)(C)C)c(CNC(=O)OC(C)C)c1
Answer: Cc1oc(-c2ccc([N+](=O)[O-])cc2)nc1CCOc1ccc(CCC(=O)OC(C)(C)C)c(CNC(=O)OC(C)C)c1
Task: retrosynthesis
products: CNC(CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O)c1ccccc1
Answer: CN(C(=O)OC(C)(C)C)C(CCN1c2ccccc2N(c2ccccc2F)S1(=O)=O)c1ccccc1
Task: retrosynthesis
products: Nc1ccc(CN2CCCC2)cc1
Answer: O=[N+]([O-])c1ccc(CN2CCCC2)cc1
Task: retrosynthesis
products: O=c1cc(OCc2ccc(F)cc2F)ccn1Cc1cccc(F)c1
Answer: Fc1ccc(CBr)c(F)c1.O=c1cc(O)ccn1Cc1cccc(F)c1
Task: retrosynthesis
products: Clc1cccc(Nc2cc(SCc3ccccc3)n3nccc3n2)c1
Answer: Clc1cc(SCc2ccccc2)n2nccc2n1.Nc1cccc(Cl)c1
Task: retrosynthesis
products: CCOCc1nc2c(N)nc3ccccc3c2n1NCCCN
Answer: CCOCc1nc2c(N)nc3ccccc3c2n1NCCCNC(=O)OC(C)(C)C
Task: retrosynthesis
products: Nc1ccc(Oc2cc(Cl)ncn2)cc1F
Answer: O=[N+]([O-])c1ccc(Oc2cc(Cl)ncn2)cc1F
Task: retrosynthesis
products: Cn1c(C(F)(F)F)cc(=O)n(-c2c(F)cc(Cl)c3c2OCCC3)c1=O
Answer: CI.O=c1cc(C(F)(F)F)[nH]c(=O)n1-c1c(F)cc(Cl)c2c1OCCC2
Task: retrosynthesis
products: CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)O)cc2OCCC)c1
Answer: CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OC)cc2OCCC)c1
Task: retrosynthesis
products: CC(=O)c1cc(C)c(Cl)cc1O
Answer: CC(=O)Cl.Cc1ccc(O)cc1Cl
Task: retrosynthesis
products: CC(NC(=O)c1cnc2n1C(C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)O
Answer: CC(NC(=O)c1cnc2n1C(C)(Cc1ccc(Br)cc1)C(=O)N2c1cc(Cl)cc(Cl)c1)C(=O)OC(C)(C)C
Task: retrosynthesis
products: CCCCc1ccc(C(=O)NC2CN3CCC2CC3)nc1
Answer: CCCCc1ccc(C(=O)O)nc1.NC1CN2CCC1CC2
Task: retrosynthesis
products: COC(=O)COCCCCN1C(=O)CCC1CCC(O)Cc1cccc(Cl)c1
Answer: COC(=O)COCCCCN1C(=O)CCC1CCC(=O)Cc1cccc(Cl)c1
Task: retrosynthesis
products: Nc1ccc(Oc2ccc(NC(=O)OCc3ccccc3)cc2)cn1
Answer: O=C(Nc1ccc(Oc2ccc([N+](=O)[O-])nc2)cc1)OCc1ccccc1
Task: retrosynthesis
products: COc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1C
Answer: CC1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)CCN1.COc1ncccc1C(=O)O
Task: retrosynthesis
products: Nc1cc(C(F)(F)F)ccc1-n1cccn1
Answer: O=[N+]([O-])c1cc(C(F)(F)F)ccc1-n1cccn1
Task: retrosynthesis
products: CCc1ccc(C(=O)N2CC3C(C2)C3CN(C(=O)c2cccs2)c2ccc(N3CCOCC3)c(F)c2)cc1
Answer: CCc1ccc(C(=O)Cl)cc1.O=C(c1cccs1)N(CC1C2CNCC21)c1ccc(N2CCOCC2)c(F)c1
Task: retrosynthesis
products: O=C(c1ccccc1)c1ccc(O)c(O)c1[N+](=O)[O-]
Answer: COc1ccc(C(=O)c2ccccc2)c([N+](=O)[O-])c1O
Task: retrosynthesis
products: CCC(CC)C(c1ccc(NC(=O)CN2CCN(C)CC2)cc1)n1cncn1
Answer: CCC(CC)C(c1ccc(NC(=O)CCl)cc1)n1cncn1.CN1CCNCC1
Task: retrosynthesis
products: Cc1ccc(CN2CCN(C(=O)OC(C)(C)C)CC2)cc1[N+](=O)[O-]
Answer: CC(C)(C)OC(=O)N1CCNCC1.Cc1ccc(CCl)cc1[N+](=O)[O-]
Task: retrosynthesis
products: O=C(c1ccccc1)N1CC(O)C1
Answer: O=C(Cl)c1ccccc1.OC1CNC1
Task: retrosynthesis
products: CC(C)(CO)CCO[Si](C)(C)C(C)(C)C
Answer: CC(C)(C)[Si](C)(C)Cl.CC(C)(CO)CCO
Task: retrosynthesis
products: CN1CC=C(c2c[nH]c3ccc(N)cc23)C(F)C1
Answer: CN1CC=C(c2c[nH]c3ccc([N+](=O)[O-])cc23)C(F)C1
Task: retrosynthesis
products: CCOCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CC(C)(C)NC(=O)NC(C)C
Answer: CC(C)N=C=O.CCOCc1nc2cnc3cc(OCc4ccccc4)ccc3c2n1CC(C)(C)N
Task: retrosynthesis
products: Cc1ccc(O)cc1-c1cc(Cl)nc(N)n1
Answer: Cc1ccc(OCc2ccccc2)cc1-c1cc(Cl)nc(N)n1
Task: retrosynthesis
products: CS(=O)(=O)N1CCN(c2ccc(C#Cc3ccccc3)cc2)CC1
Answer: C#Cc1ccccc1.CS(=O)(=O)N1CCN(c2ccc(Br)cc2)CC1
Task: retrosynthesis
products: Nc1c(Cl)nc2ccccc2c1NCCc1cc(-c2ccc(F)cc2)no1
Answer: O=[N+]([O-])c1c(Cl)nc2ccccc2c1NCCc1cc(-c2ccc(F)cc2)no1
Task: retrosynthesis
products: O=C(Nc1cccc(C(=O)Nc2ccc3ncsc3c2)c1)c1ccccc1
Answer: Nc1ccc2ncsc2c1.O=C(Cl)c1cccc(NC(=O)c2ccccc2)c1
Task: retrosynthesis
products: COc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1F
Answer: COc1ncc(Br)cc1N.O=S(=O)(Cl)c1ccc(F)cc1F
Task: retrosynthesis
products: COC1CN(c2ccc(N)nc2)C1
Answer: COC1CN(c2ccc([N+](=O)[O-])nc2)C1
Task: retrosynthesis
products: Nc1cccnc1Nc1cccc(C=Cc2cncc(C=Cc3ccncc3)c2)c1
Answer: O=[N+]([O-])c1cccnc1Nc1cccc(C=Cc2cncc(C=Cc3ccncc3)c2)c1
Task: retrosynthesis
products: c1cc2cc(OC3CCC(NCC4CC4)CC3)ccc2cn1
Answer: NC1CCC(Oc2ccc3cnccc3c2)CC1.O=CC1CC1
Task: retrosynthesis
products: Cc1ccccc1CCc1ccccc1OCCC1CCCN1C
Answer: CN1CCCC1CCCl.Cc1ccccc1CCc1ccccc1O
Task: retrosynthesis
products: COc1ccc2nc(-c3ccc(N)c(OC)c3)sc2c1
Answer: COc1ccc2nc(-c3ccc([N+](=O)[O-])c(OC)c3)sc2c1
Task: retrosynthesis
products: CCOC(=O)CCc1c[nH]cc1C
Answer: CCO.Cc1c[nH]cc1CCC(=O)O
Task: retrosynthesis
products: COCCCn1ccc2c(F)ccnc21
Answer: COCCCBr.Fc1ccnc2[nH]ccc12
Task: retrosynthesis
products: O=C(O)C1C(C(=O)Nc2ccc(Cl)cn2)C1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
Answer: COC(=O)C1C(C(=O)Nc2ccc(Cl)cn2)C1C(=O)Nc1ccc(-n2ccccc2=O)cc1F
Task: retrosynthesis
products: O=C(NCC(C(=O)O)c1ccccc1)c1ncc2cc(Oc3ccccc3)ccc2c1O
Answer: CC(C)(C)OC(=O)C(CNC(=O)c1ncc2cc(Oc3ccccc3)ccc2c1O)c1ccccc1
Task: retrosynthesis
products: Nc1nc(-c2ccc3c(N)n[nH]c3c2)cc(N2CCOC(c3nc4cc(F)ccc4[nH]3)C2)n1
Answer: N#Cc1ccc(-c2cc(N3CCOC(c4nc5cc(F)ccc5[nH]4)C3)nc(N)n2)cc1F.NN
Task: retrosynthesis
products: CCOC(=O)c1ccn(Cc2ccccc2)c1C
Answer: BrCc1ccccc1.CCOC(=O)c1cc[nH]c1C
Task: retrosynthesis
products: CC(C)CC(NC(=O)N1CCCCCC1)C(=O)NCCCC1(c2ccccc2)C(=O)N(C)c2ccccc21
Answer: CC(C)CC(NC(=O)N1CCCCCC1)C(=O)O.CN1C(=O)C(CCCN)(c2ccccc2)c2ccccc21
Task: retrosynthesis
products: COC(=O)C1CN(C)CCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
Answer: C=O.COC(=O)C1CNCCN1S(=O)(=O)c1cc(Cl)cc(Cl)c1
Task: retrosynthesis
products: CNC(=O)c1c2cc(C3CC3)c(N)cc2nn1-c1ccc(Br)cc1
Answer: CNC(=O)c1c2cc(C3CC3)c([N+](=O)[O-])cc2nn1-c1ccc(Br)cc1
Task: retrosynthesis
products: CC(CNc1c(Cl)cccc1Cl)OS(C)(=O)=O
Answer: CC(O)CNc1c(Cl)cccc1Cl.CS(=O)(=O)Cl
Task: retrosynthesis
products: CN(C)S(=O)(=O)c1ccc(N2CCC(NC(=O)OC(C)(C)C)C2)cc1
Answer: CC(C)(C)OC(=O)NC1CCNC1.CN(C)S(=O)(=O)c1ccc(F)cc1
Task: retrosynthesis
products: Nc1ccc2c(cnn2C2CCCCO2)c1
Answer: O=[N+]([O-])c1ccc2c(cnn2C2CCCCO2)c1
Task: retrosynthesis
products: COCC(=O)N1CC2CC1CN2c1ccc(C#N)c2ccccc12
Answer: COCC(=O)Cl.N#Cc1ccc(N2CC3CC2CN3)c2ccccc12
Task: retrosynthesis
products: CN1CCN(CCO)CC1
Answer: C=O.OCCN1CCNCC1
Task: retrosynthesis
products: CC(Nc1nc(Cl)nc(N2CCOCC2)c1F)c1ccc(F)cn1
Answer: CC(N)c1ccc(F)cn1.Fc1c(Cl)nc(Cl)nc1N1CCOCC1
Task: retrosynthesis
products: CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(C(=O)NC3CCN(Cc4ccccc4)C3)c1)CC2
Answer: CSc1cc2c(cc1C(F)(F)F)N(C(=O)Nc1cccc(C(=O)O)c1)CC2.NC1CCN(Cc2ccccc2)C1
Task: retrosynthesis
products: CC(=O)c1cccc(O)c1Br
Answer: COc1cccc(C(C)=O)c1Br
Task: retrosynthesis
products: ON=C1CCN(c2cccc3c2OCCC3)CC1
Answer: NO.O=C1CCN(c2cccc3c2OCCC3)CC1
Task: retrosynthesis
products: CC(C)c1cccc(C(C)C)c1Nc1ccccc1N
Answer: CC(C)c1cccc(C(C)C)c1Nc1ccccc1[N+](=O)[O-]
Task: retrosynthesis
products: O=C(O)c1cc(Cl)c(Cl)[nH]1
Answer: CCOC(=O)c1cc(Cl)c(Cl)[nH]1
Task: retrosynthesis
products: Cc1ccc(C(=O)Nc2ccc(C)c(Nc3cc(C(F)(F)F)nc(-c4ccncc4)n3)c2)cc1
Answer: Cc1ccc(C(=O)Cl)cc1.Cc1ccc(N)cc1Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1
Task: retrosynthesis
products: CC(CF)(CF)C(O)C(Oc1cccc(C(F)(F)F)c1)n1ccnc1
Answer: CC(CF)(CF)C(=O)C(Oc1cccc(C(F)(F)F)c1)n1ccnc1
Task: retrosynthesis
products: Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)N2CCn3cnnc3C2)cn1
Answer: Cc1onc(-c2ccccc2)c1COc1ccc(C(=O)O)cn1.c1nnc2n1CCNC2
Task: retrosynthesis
products: Cc1cc(Nc2nccc(C3CC3)n2)cc(-c2cncs2)c1
Answer: Cc1cc(N)cc(-c2cncs2)c1.Clc1nccc(C2CC2)n1
Task: retrosynthesis
products: COC(=O)CC1CCCCN1C(=O)OC(C)(C)C
Answer: CC(C)(C)OC(=O)N1CCCCC1CC(=O)O.CO
Task: retrosynthesis
products: CS(=O)(=O)OCc1snnc1-c1noc(=O)n1-c1ccc(F)c(Cl)c1
Answer: CS(=O)(=O)Cl.O=c1onc(-c2nnsc2CO)n1-c1ccc(F)c(Cl)c1
Task: retrosynthesis
products: BrCCCCCOCCCc1nc2ccccc2n1Cc1ccccc1
Answer: BrCCCCCBr.OCCCc1nc2ccccc2n1Cc1ccccc1
Task: retrosynthesis
products: CCCCCCCCCCCCOc1ccc(C(=O)OC)cc1
Answer: CCCCCCCCCCCCBr.COC(=O)c1ccc(O)cc1
Task: retrosynthesis
products: Cc1cc2cc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)ccc2nc1C(=O)O
Answer: CCOC(=O)c1nc2ccc(-c3ccc(OCc4c(-c5c(Cl)cccc5Cl)noc4C(C)C)cc3)cc2cc1C
Task: retrosynthesis
products: COC(=O)c1ccc(OCCc2c(CCN)n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1OC(C)C
Answer: COC(=O)c1ccc(OCCc2c(CCN=[N+]=[N-])n(C(c3ccccc3)c3ccccc3)c3ccc(Cl)cc23)cc1OC(C)C
Task: retrosynthesis
products: COc1ccccc1N1CCN(CCCOc2cccc3c2CCCC3=O)CC1
Answer: COc1ccccc1N1CCN(CCCCl)CC1.O=C1CCCc2c(O)cccc21