product
stringlengths 1
871
| reactant
stringlengths 4
2.28k
|
|---|---|
COC(=O)c1c(Oc2cccc(C)c2C)nn(C(=O)OC)c1C | COC(=O)Cl.COC(=O)c1c(Oc2cccc(C)c2C)n[nH]c1C |
CN(C)CCNC(=O)c1cc(Cl)c(F)c(CNC(=O)OC(C)(C)C)c1 | CC(C)(C)OC(=O)NCc1cc(C(=O)O)cc(Cl)c1F.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.CN(C)CCN.F[P-](F)(F)(F)(F)F |
CN(C)Cc1nc2ccc(OCCCC#N)cc2[nH]1 | CCN(CC)CC.CNC.O=C(CCl)Nc1ccccc1.O=C(Cl)CCl.O=[N+]([O-])O |
CCS(=O)(=O)c1ccc(Oc2ccc(F)cc2F)c(-c2cn(C)c3c(OC)nc(C#CCCO)cc23)c1 | CCS(=O)(=O)c1ccc(F)c(-c2cn(C)c3c(OC)nc(C#CCCO)cc23)c1.O=C([O-])[O-].Oc1ccc(F)cc1F.[Cs+].[Cs+] |
CCN(CC)C(=O)n1c(-c2cc(C(F)(F)F)ccn2)noc1=O | C1CCC2=NCCCN2CC1.CCN(CC)C(=O)Cl.O=c1nc(-c2cc(C(F)(F)F)ccn2)[nH]o1 |
Cc1nc(-n2cnn(Cc3ccc(C(F)(F)F)o3)c2=O)sc1C(=O)NCc1cccnc1 | Cc1nc(-n2cnn(Cc3ccc(C(F)(F)F)cc3)c2=O)sc1C(=O)O.NCc1cccnc1.O=C(O)c1cncs1 |
COC(=O)c1cc(Br)c(Cl)cc1N | COC(=O)c1ccc(Cl)cc1N.O=C1CCC(=O)N1Br |
CONC(=O)c1cc(Cl)nc(N2CCC(NC(=O)c3[nH]c(C)c(Cl)c3Cl)CC2)c1 | CON.Cc1[nH]c(C(=O)NC2CCN(c3cc(C(=O)O)cc(Cl)n3)CC2)c(Cl)c1Cl.Cl |
CCOC(=O)CCN1Cc2cc(Br)ccc2C1=O | CCOC(=O)CCN.COC(=O)[C@@H](C(C)C)N1Cc2cc(Br)ccc2C1=O.COC(=O)c1ccc(Br)cc1CBr.Cl |
CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2)c(=O)n(CC(O)C(F)(F)F)c2nc(C)nn12 | CCCc1c(Cc2ccc(-c3ccccc3C#N)cc2)c(=O)n(CC(O)C(F)(F)F)c2nc(C)nn12.CS(C)=O.O=C([O-])O.[Cl-].[NH3+]O.[Na+] |
CN(CCOc1ccc(OCc2ccccc2)c(C(=O)Nc2cccnc2)c1)C(=O)OC(C)(C)C | Cc1ccc(S(=O)(=O)OCCN(C)C(=O)OC(C)(C)C)cc1.O.O=C(Nc1cccnc1)c1cc(O)ccc1OCc1ccccc1.[H-].[Na+] |
CSc1ncncc1C1c2c(F)cccc2CC1(C)C | CCOCC.CC[SiH](CC)CC.CSc1ncncc1C1c2c(F)cccc2C(=O)C1(C)C.FB(F)F.O=C([O-])[O-].[Na+].[Na+] |
CC(C)(C)OC(=O)NCc1ccccc1-c1nnn[nH]1 | CC(C)(C)OC(=O)NCc1ccccc1C#N.CCOC(C)=O.[Cl-].[N-]=[N+]=[N-].[NH4+].[Na+] |
CC(F)(F)c1ncc(C(CN)N2CCC(F)(F)CC2)cn1 | CC(F)(F)c1ncc(C(C#N)N2CCC(F)(F)CC2)cn1.N |
COCCn1c(C)c(C)s/c1=N\C(=O)c1c(Cl)cccc1Cl | CCN(CC)CC.COCCn1c(C)c(C)sc1=N.O=C(Cl)c1c(Cl)cccc1Cl |
CONC(=O)c1ccccc1Nc1cc(Cl)ncc1Cl | CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.O=C(O)c1cccc(Nc2cc(Cl)ncc2Cl)c1.O=C([O-])O.On1nnc2ccccc21.[Na+] |
CCOc1ccc(N2CCN[C@@H](Cn3cccn3)C2)cc1OC1CCCC1 | CC(C)(C)OC(=O)N1CCNC[C@@H]1Cn1cccn1.CCOc1ccc(Br)cc1OC1CCCC1 |
NC(=O)c1cccc2c(NCc3cccc(Nc4ncnc5[nH]cnc45)c3)ncnc12 | Cl.Clc1ncnc2[nH]cnc12.NC(=O)c1cccc2c(NCc3cccc(N)c3)ncnc12 |
Cc1c(S(=O)(=O)c2ccc(Cl)cc2)c2cc(Cl)ccc2n1CC(=O)O | COC(=O)Cn1c(C)c(S(=O)(=O)c2ccc(Cl)cc2)c2cc(Cl)ccc21.[Na+].[OH-] |
CN(C1CC1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C | C=O.C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@H]2NC1CC1.[Na+].[OH-] |
O=C(Cc1c[nH]c2ccc(O)cc12)N[C@H](Cc1cc(F)cc(F)c1)c1nocc1-c1ccc(Cl)cc1 | COc1ccc(-n2ccnc2[C@@H](N)Cc2cc(F)cc(F)c2)cc1.COc1ccc(-n2ccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc1.N[C@H](Cc1cc(F)cc(F)c1)c1nocc1-c1ccc(Cl)cc1.O=C(O)Cc1c[nH]c2ccc(C(F)(F)F)cc12 |
O=C([O-])[O-].O=C([O-])[O-].O=C([O-])[O-].[Ce+3].[Ce+3] | O=C([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Ce+3].[Na+].[Na+] |
C[C@@H]1COCCN1c1cc(C2(S(C)(=N)=O)CC2)nc(-c2ccnc3[nH]ccc23)n1 | Cc1ccc(S(=O)(=O)n2ccc3c(-c4nc(N5CCOC[C@H]5C)cc(C5(S(C)(=N)=O)CC5)n4)ccnc32)cc1.Cl.O.[Na+].[OH-] |
O=C(Nc1cccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)c1)C1CC1 | Nc1cccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)c1.O=C(Cl)C1CC1 |
NC(=O)NCC1CCN(c2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2F)CC1 | N#C[O-].NCC1CCN(c2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2F)CC1.[K+] |
N#Cc1ccc(CO)cc1F | N#Cc1ccc(C=O)cc1F.O=C(O)CC(O)(CC(=O)O)C(=O)O.[BH4-].[Na+] |
CN(C)c1nc(C2(c3ccccc3)CCN(CCC3(c4ccc(Cl)c(Cl)c4)CN(Cc4ccccc4)C(=O)CO3)CC2)cs1.Cl.Cl | CN(C)c1nc(C2(c3ccccc3)CCNCC2)cs1.Cc1ccc(S(=O)(=O)O)cc1.Cl.Cl.O.O=C1COC(CCN2CCC(O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1.O=C1COC(CCN2CCC(O)(c3ccccc3)CC2)(c2ccc(Cl)c(Cl)c2)CN1Cc1ccccc1 |
CN1CCN2c3ccccc3NCC2C1 | CN1CCN2c3ccccc3NC(=O)C2C1.O=C(O)/C=C/C(=O)O.O=C(O)/C=C/C(=O)O.[Al+3].[H-].[H-].[H-].[H-].[Li+].[NH4+].[OH-] |
Nc1c(N)n(Cc2ccco2)c(=O)[nH]c1=O | Nc1cc(=O)[nH]c(=O)n1Cc1ccco1.O=N[O-].O=S([O-])S(=O)[O-].[Na+].[Na+].[Na+] |
CC(CCCc1ccccc1)Oc1cc(O)c2c(c1)N1CCCCC1CC2CCCO | CC(CCCc1ccccc1)Oc1cc(O)c2c(c1)N1CCCCC1CC2CCC(=O)[O-] |
C[C@@H]1O[C@H](C)CN2c3c(cc4c(-c5ccnc(S(C)(=O)=O)n5)noc4c3F)CC3(C(=O)NC(=O)NC3=O)[C@@H]12 | C1CCOC1.CSc1nccc(-c2noc3c(F)c4c(cc23)CC2(C(=O)NC(=O)NC2=O)[C@H]2[C@H](C)O[C@H](C)CN42)n1.O.O=S([O-])OO.[K+] |
CN(C)C(=O)CCCCl | CNC.Cl.O=C(Cl)CCCCl.[Na+].[OH-] |
COc1cc(C(=O)/C=C/c2ccc3c(c2)OCO3)cc(OC)c1OC | COc1cc(C(C)=O)cc(OC)c1OC.O=Cc1ccc2c(c1)OCO2.[Na+].[OH-] |
CCc1ccc(C2CC(C(=O)OC)CN(C(=O)Oc3ccc([N+](=O)[O-])cc3)C2)cc1F | CCc1ccc(C2CNCC(C(=O)OC)C2)cc1F.O=C(Cl)Oc1ccc([N+](=O)[O-])cc1 |
COc1cc(Cc2ccc(F)cc2)cc(C(=O)CC(=O)C(=O)O)c1OC | CCOC(=O)C(=O)CC(=O)c1cc(Cc2ccc(F)cc2)cc(OC)c1OC.[Na+].[OH-] |
CSCC[C@H](NC(=O)c1ccc(C(OCCn2ccnc2)c2ccc(F)cc2)cc1-c1ccc(F)cc1)C(=O)OC1CCN(C)CC1 | CSCC[C@H](N)C(=O)OC1CCN(C)CC1.O=C(O)c1ccc(C(OCCn2ccnc2)c2ccc(F)cc2)cc1-c1ccc(F)cc1 |
CC(C)(C)c1ccc(N)c(C(F)(F)C(F)(F)F)c1 | CC(C)(C)c1ccc(N)cc1.CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.FC(F)(F)C(F)(F)I.O=C([O-])O.O=S(=O)([O-])[O-].O=S([O-])S(=O)[O-].[Na+].[Na+].[Na+] |
COc1c(-c2ccc3cc(NS(C)(=O)=O)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C | CC1CCCO1.COc1c(-c2ccc3cc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc3c2)cc(-n2ccc(=O)[nH]c2=O)cc1C(C)(C)C.CS(N)(=O)=O.N[C@@H](CS)C(=O)O.O=P([O-])([O-])[O-].[Cl-].[K+].[K+].[K+].[Na+] |
CCCc1cc(-c2cccc(C(C)C)c2)nc(S(C)(=O)=O)n1 | CC(C)c1cccc(B(O)O)c1.CCCc1cc(Cl)nc(S(C)(=O)=O)n1.O.O=C([O-])[O-].[K+].[K+] |
O=Cc1ccccc1OCc1ccccc1 | BrCc1ccccc1.O=C([O-])[O-].O=Cc1ccccc1O.[K+].[K+] |
Cc1ccc(C2=CC3=NC(c4ccccc4)NN3C(N)=C2)cc1 | Cc1ccc(B(O)O)cc1.Nc1cc(Br)cc2nc(-c3ccccc3)nn12.O=C([O-])[O-].[Na+].[Na+].[Na+].[OH-] |
CCOC(=O)c1ccc(C(=O)C2CCC2)cc1 | CCOC(=O)c1ccc([Zn+])cc1.O=C(Cl)C1CCC1.[I-] |
Br.Br.CCN(CC)CCCN1CC=C2C(=C(c3ccccc3)c3ccccc32)C1 | Br.CCN(CC)CCCN1CCC(O)(c2ccccc2)C(C(=O)c2ccccc2)C1.O |
C=CCCCOC(=O)N[C@@H]1C[C@@H](CCCC=C)O[C@@](OC)([C@@H]2CSC(=O)N2Cc2ccc(OC)cc2)C1 | C=CCCCOC(=O)Oc1ccc([N+](=O)[O-])cc1.C=CCCC[C@@H]1C[C@@H](N)C[C@](OC)([C@@H]2CSC(=O)N2Cc2ccc(OC)cc2)O1.CCN(C(C)C)C(C)C |
CN1CC[C@@H](Oc2cc([N+](=O)[O-])ccc2C(F)(F)F)C1 | CN1CC[C@@H](O)C1.O=[N+]([O-])c1ccc(C(F)(F)F)c(F)c1.[H-].[Na+] |
CN1C(=O)SC(c2ccc3cc(OCc4ccccc4F)ccc3c2)C1=O | CN(C)P(=O)(N(C)C)N(C)C.Fc1ccccc1COc1ccc2cc(CI)ccc2c1.O=C1CSC(=O)N1.[Li]CCCC |
CCOc1cccc(-n2cc(C(O)C3CCCCC3)c(CC)n2)c1 | Br[Mg]C1CCCCC1.CCOc1cccc(-n2cc(C=O)c(CC)n2)c1.CCOc1cccc(-n2cc(C=O)c(CC)n2)c1 |
FC(F)(F)Oc1ccc(-c2cnc3cc(Cl)ccc3c2Cl)cc1 | CC(C)(C)NCCCNc1c(-c2ccc(OC(F)(F)F)cc2)cnc2cc(Cl)ccc12.Clc1ccc2c(Cl)c(I)cnc2c1 |
CC1(C)CN(c2nnc(-c3ccccc3)c3ccccc23)CCN1 | CC1(C)CN(c2nnc(Cl)c3ccccc23)CCN1.CCN(CC)CC.O=C(Cl)c1ccccc1 |
CC(=O)OC(C)CCCCn1c(=O)c2c(ncn2C)n(CCCCCCNC(=O)CCCC[C@H]2SC[C@@H]3NC(=O)N[C@@H]32)c1=O | CC(=O)O[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(CCCCCCN)c1=O.O=C(O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@H]12 |
COCCn1c(C)nc2cc(C(=O)N(C)CCO)cc(OCc3ccccc3)c21 | CNCCO.COCCn1c(C)nc2cc(C(=O)O)cc(OCc3ccccc3)c21 |
CC(C)(C)OC(=O)Cc1cccc(Br)c1 | CC(C)(C)NC(=O)C(Cl)(Cl)Cl.CCOCC.FB(F)F.O=C(O)Cc1cccc(Br)c1.O=C([O-])O.[Na+] |
NC(=O)Nc1cc(-c2csc3ccccc23)sc1C(N)=O | NC(=O)Nc1cc(Br)sc1C(N)=O.OB(O)c1csc2ccccc12 |
COC(=O)NC(C(=O)N1CCCC1c1nc(-c2ccc3cc(-c4ccc(-c5cnc(C6CC(=O)CN6C(=O)C(NC(=O)OC)C(C)C)[nH]5)cc4)ccc3c2)c[nH]1)C(C)C | COC(=O)NC(C(=O)N1CC(=O)CC1c1ncc(-c2ccc(Br)cc2)[nH]1)C(C)C.COC(=O)NC(C(=O)N1CCCC1c1nc(-c2ccc3cc(B4OC(C)(C)C(C)(C)O4)ccc3c2)c[nH]1)C(C)C.O=C([O-])O.[Na+] |
O=P([O-])([O-])O.[Na+].[Na+] | O=P([O-])([O-])O.[Na+].[Na+] |
O=C(Nc1ccc(C(=O)N2CCc3cn[nH]c3-c3ccccc32)cn1)c1ccccc1-c1ccccc1 | C1=C2CCN=c3ccccc3=C2N=N1.O=C(Cl)c1ccc(NC(=O)c2ccccc2-c2ccccc2)nc1 |
C#CCNS(=O)(=O)Cc1ccc(Nc2nc(Cl)ncc2F)cc1 | C#CCNS(=O)(=O)Cc1ccc(N)cc1.Fc1cnc(Cl)nc1Cl |
Cc1nc[nH]c1CSCCN=C(N)N.O=S(=O)(O)O | CSC(=N)N.Cc1nc[nH]c1CSCCN.O=S(=O)(O)O |
CCCCCCCCCCCCCCCCCCC(CC(=O)O)C(O)=Nc1ccc(O)cc1 | CCC(C)=O.CCCCCCCCCCCCCCCCCCC1CC(=O)OC1=O.N#N.Nc1ccc(O)cc1 |
CC(C)COc1ccccc1-c1ncc(-c2nnn[nH]2)c(=O)[nH]1 | CC(C)COc1ccccc1-c1ncc(C#N)c(=O)[nH]1.[Cl-].[N-]=[N+]=[N-].[NH4+].[Na+] |
Cn1cc[n+](-c2ccc(Cl)cc2)c1.[I-] | CI.Clc1ccc(-n2ccnc2)cc1 |
CC(C)Oc1ccc(-c2nc(-c3cccc4c(-c5cccc(C(=O)O)c5)nccc34)no2)cc1Cl | CC(C)Oc1ccc(-c2nc(-c3cccc4c(Br)nccc34)no2)cc1Cl.O=C(O)c1cccc(B(O)O)c1.O=C([O-])[O-].[Na+].[Na+] |
COc1cc(C(C)=O)ccc1OCC(C)N1CCC(c2noc3cc(F)ccc23)CC1 | CN(C)C=O.COc1cc(C(C)=O)ccc1OCCCl.Cl.Fc1ccc2c(C3CCNCC3)noc2c1.O=C([O-])[O-].[K+].[K+] |
CCOC(=O)c1cc2c(C)c(OCc3ccccc3)ccc2n1C | CCOC(=O)c1cc2c(C)c(OCc3ccccc3)ccc2[nH]1.CI.[Cl-].[H-].[Na+].[Na+] |
N#Cc1ccc(Cn2ncc3cc(/C=C4\SC(=O)N(CC(=O)O)C4=O)ccc32)c(C(F)(F)F)c1 | CC(C)(C)OC(=O)CBr.N#Cc1ccc(Cn2ncc3cc(/C=C4\SC(=O)NC4=O)ccc32)c(C(F)(F)F)c1 |
COC(=O)N=C(NC(=O)OC)Nc1ccc(S(=O)CC(C)C)cc1NC(C)=O | COC(=O)N=C(NC(=O)OC)Nc1ccc(SCC(C)C)cc1NC(C)=O.O=C(OO)c1cccc(Cl)c1 |
COc1cc(CCC(=O)N(CCN(C)C)[C@H]2CC[C@@H](C)CC2)ccc1O | COc1cc(C=CC(=O)N(CCN(C)C)[C@H]2CC[C@@H](C)CC2)ccc1O |
Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnc2c(c1N1CCC[C@H](N)C1)CCO2 | CC(C)(C)OC(=O)Nc1sc(-c2c(F)cccc2F)nc1C(=O)Nc1cnc2c(c1N1CCC[C@H](NC(=O)OC(C)(C)C)C1)CCO2.O=C(O)C(F)(F)F |
Cc1cncc(C(O)(C(C)c2cc(C(=O)O)ccc2Cl)C(F)(F)F)n1 | COC(=O)c1ccc(Cl)c(C(C)C(O)(c2cncc(C)n2)C(F)(F)F)c1.[Na+].[OH-] |
Nc1cnc(Cl)c(N2CCOCC2)n1 | Nc1cnc(O)c(N2CCOCC2)n1.O=P(Cl)(Cl)Cl |
N#CCC(=O)NC(=O)Nc1ccccc1 | CC(=O)OC(C)=O.CC(C)O.N#CCC(=O)O.N#CCC(=O)O.NC(=O)Nc1ccccc1 |
COc1cc(N2CCN(C(C)=O)CC2)ccc1[N+](=O)[O-] | CC(=O)N1CCNCC1.COc1cc(F)ccc1[N+](=O)[O-].O=C([O-])[O-].[K+].[K+] |
CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ncc(-c3ccc(OC(F)(F)F)cc3)cn2)cs1 | CC(C)(C)OC(=O)C(C)(C)Sc1nc(CCOc2ncc(Br)cn2)cs1.O.O=C([O-])[O-].OB(O)Oc1ccc(OC(F)(F)F)cc1.[Na+].[Na+] |
CC(C)(C)OC(=O)c1cncc(C#N)c1 | CC(C)(C)OC(=O)c1cncc(Br)c1.CC(C)C(N)=O.O=C(O)c1cncc(Br)c1 |
Cn1cc(-c2nc3ccc(CC(=O)O)cc3o2)c2ccc(F)cc21 | C1CCOC1.COC(=O)Cc1ccc2nc(-c3cn(C)c4cc(F)ccc34)oc2c1.[Na+].[OH-] |
COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CN1CC(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)NC1=O | CCN(C(C)C)C(C)C.COc1ccc(C(C)C)cc1-c1ccc(C(F)(F)F)cc1CNCC(N)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.O=C(OC(Cl)(Cl)Cl)OC(Cl)(Cl)Cl.O=C([O-])O.[Na+] |
Nc1c(F)cc(Br)cc1C(=O)O | Nc1c(F)cccc1C(=O)O.O=C1CCC(=O)N1Br |
COC(=O)c1sc(NC(=O)C2=C(C(=O)O)C3CCC2CC3)c(-c2nc(C)cs2)c1C | COC(=O)c1sc(N)c(-c2nc(C)cs2)c1C.O=C1OC(=O)C2=C1C1CCC2CC1 |
CCC(O)(CC)c1ccc(Br)c(C)c1 | C1CCOC1.CC[Mg]Br.COC(=O)c1ccc(Br)c(C)c1.[Cl-].[NH4+] |
COc1ccc(C(=O)OCC(C)(C)NC(=O)OC(C)(C)C)cc1 | CC(C)(CO)NC(=O)OC(C)(C)C.CCN(C(C)C)C(C)C.COc1ccc(C(=O)Cl)cc1 |
C1=C(c2cccnc2OC2CNC2)CCOC1.Cl | CC(C)(C)OC(=O)N1CC(Oc2ncccc2C2=CCOCC2)C1.Cl |
Br.CN1CCC[C@@H]1Cc1c[nH]c2ccc(CCS(=O)(=O)c3ccccc3)cc12 | Br.COCCOC.O=S(=O)(CCc1ccc2[nH]ccc2c1)c1ccccc1 |
COc1ccc2ccc(=O)n(CCN3C[C@@H](O)[C@@H](CNCc4cc5c(cn4)OCCO5)C3)c2c1.Cl | CC(=O)O[BH-](OC(C)=O)OC(C)=O.COc1ccc2ccc(=O)n(CCN3C[C@@H](O)[C@@H](CN)C3)c2c1.ClCCl.O=C([O-])[O-].O=Cc1cc2c(cn1)OCCO2.[Na+].[Na+].[Na+] |
Cc1cc(C(=O)O)cc2c1Oc1c(Cl)cc(NC=O)cc1CS2(=O)=O | Cc1cc(C(=O)O)cc2c1Oc1c(Cl)cc(N)cc1CS2(=O)=O.O.O=C[O-].[Na+] |
Oc1ccc(-c2cnc(NC(=S)Cc3ccccc3)c(Cc3ccccc3)n2)cc1 | BrB(Br)Br.COc1ccc(-c2cnc(NC(=S)Cc3ccccc3)c(Cc3ccccc3)n2)cc1.O=C([O-])O.[Na+] |
Nc1nc2ccc(O)cc2s1 | Br.CCOc1ccc2nc(N)sc2c1 |
COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3c4c(ccc32)-c2ccc(-c3cnc([C@H]5CCCN5C(=O)[C@@H](NC(=O)OC)C(C)C)[nH]3)cc2CO4)[nH]1)C(C)C | CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C.COC(=O)N[C@H](C(=O)N1CCC[C@H]1c1nc2c(ccc3c4c(ccc32)-c2ccc(-c3cnc([C@H]5CCCN5C(=O)OC(C)(C)C)[nH]3)cc2CO4)[nH]1)C(C)C.COC(=O)N[C@H](C(=O)O)C(C)C.Cl.F[P-](F)(F)(F)(F)F |
CCCCC(=CC[SH2+])CCCC.CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1 | CCCCC(=CC[SH2+])CCCC.CCCC[B-](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Li+] |
O=C(Nc1nnc(-c2cccs2)o1)c1cc(-c2ccccc2)nc2ccc(OC(F)(F)F)cc12 | Cc1ccc(S(=O)(=O)Cl)cc1.O=C(NNC(=S)NC(=O)c1cc(-c2ccccc2)nc2ccc(OC(F)(F)F)cc12)c1cccs1 |
OCc1cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc2n1Cc1ccccc1 | C1CCOC1.C1CCOC1.CC(C)[Si](OCc1c(C(O)(C(F)(F)F)C(F)(F)F)c2ccccc2n1Cc1ccccc1)(C(C)C)C(C)C.CCCC[N+](CCCC)(CCCC)CCCC.CCOCC.[Cl-].[F-].[NH4+] |
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCSCC1 | C1CSCCN1.CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)O |
C=CC1(C(=O)OCC)CCCCC1 | CCOC(=O)C1(C(C)O)CCCCC1.O=P12OP3(=O)OP(=O)(O1)OP(=O)(O2)O3 |
Cc1ccccc1-n1nc(C2CCCC2)cc1Nc1ccccc1C(=O)O | C1CCOC1.COC(=O)c1ccccc1Nc1cc(C2CCCC2)nn1-c1ccccc1C.[Na+].[OH-] |
O=C([O-])c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12.[Na+] | CCOC(=O)c1cnn2c(-c3cccc(C(F)(F)F)c3)ccnc12.[Na+].[OH-] |
CCOC(=O)c1c(CC)cc(Cl)nc1CC | CCOC(=O)c1c(CC)ccnc1CC.O=C(OO)c1cccc(Cl)c1 |
O=C1NCCN1Cc1ccc2ccccc2c1 | ClCc1ccc2ccccc2c1.O.O=C([O-])[O-].O=C1NCCN1.[K+].[K+] |
NC(Cc1ccncc1)c1ccccc1Cl | CON.Cl.O.O=C(Cc1ccncc1)c1ccccc1Cl.[Na+].[OH-] |
O=S(=O)(Nc1ccccc1)c1cccc(C(O)C2CC2)c1 | Cl.O=CC1CC1.O=S(=O)(Cl)c1cccc(Br)c1.O=S(=O)(Nc1ccccc1)c1cccc(Br)c1.[Li]CCCC.[Li]CCCC |
O=c1cc(COC2CCCCO2)occ1OCCCCCCCCSc1ccnc2cc(C(F)(F)F)ccc12 | FC(F)(F)c1ccc2c(S)ccnc2c1.O=c1cc(COC2CCCCO2)occ1OCCCCCCCCBr.[H-].[Na+] |
CCCCCc1nn(C(=O)OC(C)(C)C)c2ccc(Oc3c(C)cc(N)cc3C)cc12 | CCCCCc1nn(C(=O)OC(C)(C)C)c2ccc(Oc3c(C)cc([N+](=O)[O-])cc3C)cc12 |
Subsets and Splits