text
stringlengths 25
599
| label
int64 0
999
|
|---|---|
BrB(Br)Br.CCOC(=O)CCc1cc(F)c(OC)cc1CCC(C)C.ClCCl>>CCOC(=O)CCc1cc(F)c(O)cc1CCC(C)C | 48 |
C1CCOC1.CCN(CC)CC.CCN=C=NCCCN(C)C~Cl.CCOC(C)=O.CN.CN(C)C=O.O=C(O)Cc1cccc(Br)c1.On1nnc2ccccc21>>CNC(=O)Cc1cccc(Br)c1 | 230 |
C1CCOC1.CO.COc1ccc2c(c1)c1c(OCC#N)cccc1n2Cc1ccccc1>>COc1ccc2c(c1)c1c(OCCN)cccc1n2Cc1ccccc1 | 246 |
CCN=C=NCCCN(C)C.CN(C)C=O.Cc1cc(C(=O)c2sc(N)nc2-c2ccco2)ccn1.Cl.O.O.O=C(O)c1ccncc1.On1nnc2ccccc21>>Cc1cc(C(=O)c2sc(NC(=O)c3ccncc3)nc2-c2ccco2)ccn1 | 918 |
CC(C)(C)OC(=O)c1cccc(CN2CN(C3CCCCC3)C3(CCNCC3)C2=O)c1.CCOC(C)=O.CN(C)C=O.O=C(CCCI)c1ccc(F)cc1.O=C([O-])[O-]~[K+]~[K+]>>CC(C)(C)OC(=O)c1cccc(CN2CN(C3CCCCC3)C3(CCN(CCCC(=O)c4ccc(F)cc4)CC3)C2=O)c1 | 184 |
C1CCOC1.CO.COC(=O)CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23.[Na+].[OH-]>>O=C(O)CC1CCc2cc(Br)cc3[nH]c(=O)c(=O)n1c23 | 88 |
CCCCN1CCN(S(C)(=O)=O)c2ccc(C(=O)OC)cc21.CO.[K+]~[OH-]>>CCCCN1CCN(S(C)(=O)=O)c2ccc(C(=O)O)cc21 | 247 |
COC(=O)c1ccc(Cc2c(C)nc(N)nc2O)c(OC)c1.O=P(Cl)(Cl)Cl>>COC(=O)c1ccc(Cc2c(C)nc(N)nc2Cl)c(OC)c1 | 25 |
C1CCOC1.CCCC[N+](CCCC)(CCCC)CCCC.COc1c(F)cc(C#C[Si](C)(C)C)cc1F.[F-]>>C#Cc1cc(F)c(OC)c(F)c1 | 337 |
CC(C)(C)OC(=O)N1CCC(=O)CC1.CCN(CC)CC.ClCCl.[BH4-]~[Na+]>>CC(C)(C)OC(=O)N1CCC(O)CC1 | 91 |
Cc1ccc(C(=O)Cl)cc1.Clc1ccccc1.[Al+3]~[Cl-]~[Cl-]~[Cl-]>>Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1 | 61 |
C1CCOC1.CCOC(=O)c1ccc(N2CC3C(C2)C3NCc2ccc3ccccc3c2)cc1.C[Si](C)(C)[O-]~[K+]>>O=C(O)c1ccc(N2CC3C(C2)C3NCc2ccc3ccccc3c2)cc1 | 5 |
CC#N.Cl~ClCCN1CCCCC1.O.O=C([O-])[O-]~[K+]~[K+].Oc1ccc2c(C3CCCCC3)noc2c1>>c1cc2c(C3CCCCC3)noc2cc1OCCN1CCCCC1 | 74 |
C1CCOC1.CC(C)C(N)C(=O)c1nccs1~Cl.CCOC(=O)Cl.CCOC(C)(C)C.CN1CCOCC1.O=C(O)Cn1c(-c2ccccc2)ncc(NC(=O)Cc2ccccc2)c1=O>>CC(C)C(NC(=O)Cn1c(-c2ccccc2)ncc(NC(=O)Cc2ccccc2)c1=O)C(=O)c1nccs1 | 645 |
ClC(Cl)Cl.NCCO.O.O=[N+]([O-])c1ccccc1CBr>>O=[N+]([O-])c1ccccc1CNCCO | 446 |
CC(C)(C)O.CO.COC(=O)c1cccc([N+](=O)[O-])c1C.O.[BH4-].[Na+]>>Cc1c(CO)cccc1[N+](=O)[O-] | 444 |
CC(=O)OC(C)=O.COc1ccc(CC(=O)O)c(C(=O)O)c1.Cc1ccccc1>>COc1ccc2c(c1)C(=O)OC(=O)C2 | 436 |
CO.CON(C)C(=O)c1cc([N+](=O)[O-])n[nH]1.[Pd]>>CON(C)C(=O)c1cc(N)n[nH]1 | 684 |
CCN(CC)CC.CCOP(=O)(C#N)OCC.COC(=O)[C@@H](N)CC(C)C.C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)O.Cl.ClCCl>>COC(=O)[C@H](CC(C)C)NC(=O)[C@H](C)NC(=O)CNC(=O)OCc1ccccc1 | 129 |
C1CCOC1.Cl.NC(=O)C1CNc2cccc(F)c2O1.[Al+3]~[H-]~[H-]~[H-]~[H-]~[Li+]>>NCC1CNc2cccc(F)c2O1 | 363 |
C1COCCO1.CC(C)(C)[O-].CC1(C)c2cccc(P(c3ccccc3)c3ccccc3)c2Oc2c(P(c3ccccc3)c3ccccc3)cccc21.Ic1ccccc1.O.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=c1ccn(C2CCNCC2)nc1-c1ccnn1-c1ccccc1.[Na+].[Pd].[Pd]>>O=c1ccn(C2CCN(c3ccccc3)CC2)nc1-c1ccnn1-c1ccccc1 | 931 |
B~C1CCOC1~CSC.C1CCOC1.Cl.Nc1cc(C(=O)N2CCC(O)CC2)cc(C(F)(F)F)c1.[Na+]~[OH-]>>Nc1cc(CN2CCC(O)CC2)cc(C(F)(F)F)c1 | 215 |
CC(=O)[O-].CCO.Cl.NO.O.O=C(Cc1c[nH]c2ccccc12)c1ccccc1.[K+]>>ON=C(Cc1c[nH]c2ccccc12)c1ccccc1 | 212 |
C1CCOC1.CC(CO)(C(F)(F)F)C(F)(F)F.Clc1cc(Cl)ncn1.[Cl-]~[NH4+].[H-]~[Na+]>>CC(COc1cc(Cl)ncn1)(C(F)(F)F)C(F)(F)F | 653 |
C1CCOC1.CCOC(=O)C(O)C(Cc1ccccc1)NC(=O)c1cccnc1-n1cc2ccccc2n1.O.[Li+]~[OH-]>>O=C(NC(Cc1ccccc1)C(O)C(=O)O)c1cccnc1-n1cc2ccccc2n1 | 7 |
CCOC(C)=O.COC(=O)[C@@H]1NC(=O)[C@@H]1NC(=O)COc1ccccc1.CO~O.O=C([O-])[O-]~[K+]~[K+]>>O=C(COc1ccccc1)N[C@H]1C(=O)N[C@H]1C(=O)O | 88 |
CN1CCCC1=O.COC(=O)c1cc(Cc2cccc(Cl)c2F)c(OC)cc1F.Cl.O.[Na+].[OH-]>>COc1cc(F)c(C(=O)O)cc1Cc1cccc(Cl)c1F | 222 |
CCCCCC~CCOC(C)=O.CCOC(C)=O.CCOc1ccccc1CN.CN(C)C=O.O=C(O)c1ccc2cnccc2n1.O~On1nnc2ccccc21>>CCOc1ccccc1CNC(=O)c1ccc2cnccc2n1 | 905 |
C1CCOC1.O=C(Cl)CCCl.c1ccc2c(c1)CCNC2>>O=C(CCCl)N1CCc2ccccc2C1 | 240 |
CCOC(C)=O.CN1CCCC1=O.COC(=O)c1coc2cc(O)ccc12.Nc1nc(Cl)cc(Cl)n1.O.O=P([O-])([O-])[O-].[K+].[K+].[K+]>>COC(=O)c1coc2cc(Oc3cc(Cl)nc(N)n3)ccc12 | 668 |
COC(=O)N1CC[C@@H](N)[C@H](O)C1.N#Cc1cc(Br)c(Cl)c(Br)c1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C(/C=C/c1ccccc1)/C=C/c1ccccc1.O=C([O-])[O-].[Cs+].[Cs+].[Pd].[Pd].c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1>>COC(=O)N1CC[C@@H](Nc2cc(C#N)cc(Br)c2Cl)[C@H](O)C1 | 519 |
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CO.N.O=C(O)[C@H](O)[C@@H](O)C(=O)O.O=C1NCCN1CCC#Cc1c(Cl)ccc2c1CCNCC2>>CC(C)(C)OC(=O)N1CCc2ccc(Cl)c(C#CCCN3CCNC3=O)c2CC1 | 694 |
CCN(CC)CC.CCOC(C)=O.Cc1c(Cl)nc(Cl)c(=O)n1CC(=O)OCc1ccccc1.Cc1ccc(CCN)cc1>>Cc1ccc(CCNc2nc(Cl)c(C)n(CC(=O)OCc3ccccc3)c2=O)cc1 | 148 |
CC(C)CN1CCNCC1.CC(C)O.CCN(C(C)C)C(C)C.Nc1ncc(Cl)c(Cl)c1[N+](=O)[O-]>>CC(C)CN1CCN(c2c(Cl)cnc(N)c2[N+](=O)[O-])CC1 | 398 |
CC(C)O~COC(C)(C)C.COc1ccc2c(C)c(CCCl)c(=O)oc2c1OC.COc1ccccc1N1CCNCC1~Cl>>COc1ccccc1N1CCN(CCc2c(C)c3ccc(OC)c(OC)c3oc2=O)CC1 | 138 |
CC#N.CCOc1ccc(-c2ccc3c(c2)COC3=O)c(O)c1OC.CS(=O)(=O)c1ccc(CBr)cc1.O=C([O-])[O-]~[K+]~[K+]>>CCOc1ccc(-c2ccc3c(c2)COC3=O)c(OCc2ccc(S(C)(=O)=O)cc2)c1OC | 127 |
C1CCOC1.CCOC(C)=O.COc1ccc(OCCN2CCN(C(=O)CCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1OC.N#N.[Al+3].[H-].[H-].[H-].[H-].[Li+]>>COc1ccc(OCCN2CCN(CCCCCC(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1OC | 112 |
CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)OCc2ccccc2)C1.CO.[Pd]>>CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](N)C1 | 574 |
CO.N#Cc1nccc2c1ncn2-c1ccc([N+](=O)[O-])cc1.[C]~[Pd].[H][H]>>N#Cc1nccc2c1ncn2-c1ccc(N)cc1 | 1 |
CC(=O)O.CC(=O)c1ccc(C(C)(C)O)cc1.[Br-].[Br-].[Br-].c1cc[nH+]cc1.c1cc[nH+]cc1.c1cc[nH+]cc1>>CC(C)(O)c1ccc(C(=O)CBr)cc1 | 360 |
CCN(C(C)C)C(C)C.CCN=C=NCCCN(C)C.CN(C)C=O.Cl.O=C(O)/C=C/c1cnc2c(c1)CCC(=O)N2.OCCC1CCNCC1.On1nnc2ccccc21>>O=C1CCc2cc(/C=C/C(=O)N3CCC(CCO)CC3)cnc2N1 | 811 |
COc1cc([C@@H](C)N)ccc1F.Cl.NC(=O)CCNC(=O)c1ccc([C@H]2CCC(=O)C2)cc1>>COc1cc([C@@H](C)NC2CC[C@H](c3ccc(C(=O)NCCC(N)=O)cc3)C2)ccc1F | 589 |
C1COCCO1.COC(=O)c1ccc(OC)c(OCCc2cccc(C#N)c2)c1.[Li+].[OH-]>>COc1ccc(C(=O)O)cc1OCCc1cccc(C#N)c1 | 222 |
CC#N.CCN=C=NCCCN(C)C~Cl.NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(Oc2ccccc2)cc1.O.O=C(O)c1cccc2c1C=CCCC2.On1nnc2ccccc21>>O=C(NC(Cc1ccc(C(F)(F)F)cc1)C(O)c1ccc(Oc2ccccc2)cc1)c1cccc2c1C=CCCC2 | 334 |
Brc1ccc2c(c1)NCCO2.C1CCOC1.CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.CCN(CC)CC.CN(C)c1ccncc1>>CC(C)(C)OC(=O)N1CCOc2ccc(Br)cc21 | 827 |
CC(=O)N(C)C.Nn1c(=O)c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2sccc21.O=C1CCC1>>O=c1c(C2=NS(=O)(=O)c3ccccc3N2)c(O)c2sccc2n1N=C1CCC1 | 285 |
CCCCO.CS(C)=O.Cc1c(Cl)cc[n+]([O-])c1C.O.[H-]~[Na+]>>CCCCOc1cc[n+]([O-])c(C)c1C | 651 |
C1COCCO1.COc1cccc(CC(CCC(=O)OC(C)(C)C)NC(C)=O)c1.Cl.[Na+]~[OH-]>>COc1cccc(CC(CCC(=O)O)NC(C)=O)c1 | 278 |
C1CCOC1.CO.COC(=O)c1cc(-c2cnn3cc(OC(F)F)cnc23)c(C)s1.Cl.[K+].[OH-]>>Cc1sc(C(=O)O)cc1-c1cnn2cc(OC(F)F)cnc12 | 152 |
CO.COC(=O)c1ccccc1-c1ccccn1.O.[Na+]~[OH-]>>O=C(O)c1ccccc1-c1ccccn1 | 247 |
C1CCOC1.CCc1ccc(CN(CCC(=O)OC(C)(C)C)c2nc([C@@H]3CC[C@@H](C(C)(C)C)CC3)cs2)s1.CO.[Na+].[OH-]>>CCc1ccc(CN(CCC(=O)O)c2nc([C@@H]3CC[C@@H](C(C)(C)C)CC3)cs2)s1 | 278 |
CCN(C(C)C)C(C)C.CN(C)C(On1nnc2cccnc21)=[N+](C)C~F[P-](F)(F)(F)(F)F.CN(C)C=O.Cc1ccc(-c2cc(Oc3ncccn3)cc(C(=O)O)c2)cc1.Cc1ccc([C@@H](C)N)cn1~Cl~Cl>>Cc1ccc(-c2cc(Oc3ncccn3)cc(C(=O)N[C@H](C)c3ccc(C)nc3)c2)cc1 | 334 |
CC(C)(C)OC(=O)OC(=O)OC(C)(C)C.NCCCCCCCCCCCC(=O)O.O=C(O)CC(O)(CC(=O)O)C(=O)O.[Na+]~[OH-]>>CC(C)(C)OC(=O)NCCCCCCCCCCCC(=O)O | 631 |
CC(C)(C)OC(=O)N1CCc2oc3cc(-n4ccc(-c5ccc(C(F)(F)F)nc5)cc4=O)ccc3c2C1.CCOCC.CO.Cl>>O=c1cc(-c2ccc(C(F)(F)F)nc2)ccn1-c1ccc2c3c(oc2c1)CCNC3 | 575 |
CCCCCCCOc1cc(CO)cc(OCCCCCCC)c1OCCCCCCC.ClC(Cl)Cl.O=S(=O)([O-])[O-].[Mg+2].[Mn+2].[O-2]>>CCCCCCCOc1cc(C=O)cc(OCCCCCCC)c1OCCCCCCC | 179 |
CCO.CCOC(=O)Cc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2-c2ccccc2)cc1.Cl.[Na+].[OH-]>>O=C(O)Cc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2-c2ccccc2)cc1 | 7 |
CC(C)(C)OC(=O)N1CCC(C(=O)O)CC1.CCN=C=NCCCN(C)C~Cl.ClCCl.N#Cc1ccc2c(c1)c(-c1cccc(N)c1)nn2C1CCCCO1>>CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cccc(-c3nn(C4CCCCO4)c4ccc(C#N)cc34)c2)CC1 | 365 |
C1COCCO1.CC(C)S(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc(N)cc2)n1.O=C(Cl)Oc1ccccc1.O=C([O-])O.[Na+]>>CC(C)S(=O)(=O)Cc1cc(N2CCOCC2)nc(-c2ccc(NC(=O)Oc3ccccc3)cc2)n1 | 102 |
C1CCOC1.CO.COC(=O)C1=Cc2cc(Br)ccc2N(CCC(C)C)CC1.Cl.[Na+]~[OH-]>>CC(C)CCN1CCC(C(=O)O)=Cc2cc(Br)ccc21 | 58 |
CN(C)C=O.N#Cc1cnc2ccsc2c1Cl.O.O=C([O-])[O-].Oc1ccc(Cl)cc1Cl.[K+].[K+]>>N#Cc1cnc2ccsc2c1Oc1ccc(Cl)cc1Cl | 936 |
C1CCOC1.CCC(O)CC.CS(C)=O.Cc1cc(C)c(Oc2nc(C)cc(Cl)c2C)c(C)c1.[H-].[Na+]>>CCC(CC)Oc1cc(C)nc(Oc2c(C)cc(C)cc2C)c1C | 651 |
C#C[Si](C)(C)C.CCN(CC)CC.COC(=O)Cn1c(=O)ccc2cc(Br)ccc21.Cl[Pd](Cl)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cu]I>>COC(=O)Cn1c(=O)ccc2cc(C#C[Si](C)(C)C)ccc21 | 671 |
B.C1CCOC1.C1CCOC1.O.O=C(O)c1ccc(Br)cc1Cl.O=C([O-])O.[Na+]>>OCc1ccc(Br)cc1Cl | 72 |
CCCCCCCCCCCCc1cc2ccc(C(=O)O)cc2[nH]1.CCO.Cl>>CCCCCCCCCCCCc1cc2ccc(C(=O)OCC)cc2[nH]1 | 47 |
CC(C)=O.CCOC(=O)c1cccc(C2=C(c3cc(Cl)ccc3O)CCCC2)n1.Fc1ccc(CBr)cc1.O=C([O-])[O-].[K+].[K+]>>CCOC(=O)c1cccc(C2=C(c3cc(Cl)ccc3OCc3ccc(F)cc3)CCCC2)n1 | 127 |
CC(C)(C)[Si](C)(C)Cl.CCN(CC)CC.CN(C)C=O.O=[N+]([O-])c1ccc(Oc2cc(Nc3ccc(O)cc3)ncn2)cc1>>CC(C)(C)[Si](C)(C)Oc1ccc(Nc2cc(Oc3ccc([N+](=O)[O-])cc3)ncn2)cc1 | 746 |
Cc1nc(C(C)(C)N)no1.O=C(O)c1ccc(N2CCCC2)c(OCC2CC2)n1>>Cc1nc(C(C)(C)NC(=O)c2ccc(N3CCCC3)c(OCC3CC3)n2)no1 | 137 |
C=CCBr.OCc1cccc(Br)c1.[H-].[Na+]>>C=CCOCc1cccc(Br)c1 | 120 |
Cl.Cl[Sn]Cl~O~O.O.O=[N+]([O-])c1c[nH]c2ncc(Cl)cc12.[Na+]~[OH-]>>Nc1c[nH]c2ncc(Cl)cc12 | 269 |
C1CCOC1.CCN(CC)CC.CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cccc(N)c1.O=C(Cl)c1ccccc1>>CCOC(=O)Cn1ncc2c1CCCC2NS(=O)(=O)c1cccc(NC(=O)c2ccccc2)c1 | 11 |
CCN=C=NCCCN(C)C.COc1ccc(C2(O)CCC(N3CC(NC(=O)CN)C3)CC2)cn1.Cc1cccc(C(=O)O)c1>>COc1ccc(C2(O)CCC(N3CC(NC(=O)CNC(=O)c4cccc(C)c4)C3)CC2)cn1 | 718 |
CC(C)(C)OC(=O)N1CCC(=O)CC1.CNCc1cc2nc(Cl)nc(N3CCOCC3)c2s1>>CN(Cc1cc2nc(Cl)nc(N3CCOCC3)c2s1)C1CCN(C(=O)OC(C)(C)C)CC1 | 187 |
CCO.CCOC(=O)c1cc2c(Cl)cc(Oc3ccc(C=O)cc3)cc2n1C.[BH4-].[Na+]>>CCOC(=O)c1cc2c(Cl)cc(Oc3ccc(CO)cc3)cc2n1C | 356 |
CC(C)(C)O.CCOC(=O)c1c2n(c3c(F)c(N4CCN(C)CC4)c(F)cc3c1=O)C(C)S2.O.[K+]~[OH-]>>CC1Sc2c(C(=O)O)c(=O)c3cc(F)c(N4CCN(C)CC4)c(F)c3n21 | 171 |
C1CCOC1.CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)O)CCCCN3CC(C)C)cc1.CCCn1cncc1CS(=O)c1ccc(N)cc1.CCN(CC)CC.CN(C)C=O.O.O=S(Cl)Cl>>CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(S(=O)Cc4cncn4CCC)cc2)CCCCN3CC(C)C)cc1 | 170 |
CC(C)N=C=O.Cc1cccc(-c2cc(NCCCN)nc(N)n2)c1C>>Cc1cccc(-c2cc(NCCCNC(=O)NC(C)C)nc(N)n2)c1C | 244 |
CC(=O)[O-]~O~O~O~[Na+].CCO.Cl~NO.O.O=C(Cc1ccccc1)c1ccccc1>>ON=C(Cc1ccccc1)c1ccccc1 | 212 |
CCOC(=O)C1=C(Nc2ccccc2O)OCC1=O.CCOC(C)=O.CN(C)C=O.O=C([O-])[O-]~[K+]~[K+].OCCCl>>CCOC(=O)C1=C(Nc2ccccc2OCCO)OCC1=O | 74 |
C1CCOC1~CN(C)C=O.CC(C(=O)O)c1ccc(COCCO)c(F)c1.CC(C)(C)c1cc(CN)n(-c2ccc(F)cc2)n1.CCN(C(C)C)C(C)C.CN(C)C(On1nnc2ccccc21)=[N+](C)C~F[B-](F)(F)F.On1nnc2ccccc21>>CC(C(=O)NCc1cc(C(C)(C)C)nn1-c1ccc(F)cc1)c1ccc(COCCO)c(F)c1 | 230 |
CO.COc1cc(-c2cc3c(-c4cnc(C5(O)CCC5)s4)c(F)cnc3n2S(=O)(=O)c2ccc(C)cc2)cc(OC)c1OC.Cl.[Na+].[OH-]>>COc1cc(-c2cc3c(-c4cnc(C5(O)CCC5)s4)c(F)cnc3[nH]2)cc(OC)c1OC | 949 |
CCCc1ccc(S(=O)(=O)Cl)cc1.ClCCl.Nc1ccc2ncncc2c1.O=C([O-])O.[Na+].c1ccncc1>>CCCc1ccc(S(=O)(=O)Nc2ccc3ncncc3c2)cc1 | 68 |
CC(C)(C)c1cc(CCC(=O)O)cc(C(C)(C)C)c1O.CCCCCCCCCCCC(=O)NCCO.CCCC[O-]~CCCC[O-]~CCCC[O-]~CCCC[O-]~[Ti+4].Cc1ccccc1C.O>>CCCCCCCCCCCC(=O)NCCOC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 | 17 |
C1CCOC1.CC(C)(C)OC(=O)c1cc(Cl)nc(Cl)c1.CNC>>CN(C)c1cc(C(=O)OC(C)(C)C)cc(Cl)n1 | 220 |
C1COCCO1.COc1cc2c(Nc3cc(CC(=O)Nc4cccc(F)c4)[nH]n3)ncnc2cc1OCCCN(CCOP(=O)(OC(C)(C)C)OC(C)(C)C)CCC(F)(F)F.FC(F)(F)CCBr.NCCO.O=C([O-])[O-].[K+].[K+]>>OCCNCCC(F)(F)F | 147 |
C1CCNC1.CCC(C)(C)O.Clc1cc(-c2ccccn2)nc(-c2ccccn2)c1.[Cl-]~[Cl-]~[Zn+2]>>c1ccc(-c2cc(N3CCCC3)cc(-c3ccccn3)n2)nc1 | 398 |
CCCCOc1c(OC(C)=O)c(=O)oc2cc(OC(C)=O)ccc12.CO.C[O-]~[Na+]>>CCCCOc1c(OC(C)=O)c(=O)oc2cc(O)ccc12 | 22 |
CCCC[N+](CCCC)(CCCC)CCCC~[I-].CCN(C(C)C)C(C)C.CN(C)C=O.CN1CCNCC1.COc1cc2c(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)ncnc2cc1OCCCl>>COc1cc2c(Oc3cccc(NC(=O)Nc4cc(C(C)(C)C)on4)c3)ncnc2cc1OCCN1CCN(C)CC1 | 138 |
COc1cc2c(-c3cc4c(CNc5ccccc5)ccnc4n3S(=O)(=O)c3ccc(C)cc3)cn(C)c2cc1OC.[K+].[OH-]>>COc1cc2c(-c3cc4c(CNc5ccccc5)ccnc4[nH]3)cn(C)c2cc1OC | 949 |
CC1(C)OB(c2cc([N+](=O)[O-])ccc2F)OC1(C)C.N#Cc1cc(F)ccc1Br>>N#Cc1cc(F)ccc1-c1cc([N+](=O)[O-])ccc1F | 933 |
CC(C)=O.CO.Cl.NCc1ccccc1[N+](=O)[O-].[BH3-]C#N.[Na+]>>CC(C)NCc1ccccc1[N+](=O)[O-] | 589 |
C1CCOC1.C[O-].N#Cc1ccc([N+](=O)[O-])c(F)c1.[Na+]>>COc1cc(C#N)ccc1[N+](=O)[O-] | 485 |
COc1ccc2c(Cl)nc(Nc3cc[nH]n3)cc2c1.OB(O)c1ccc(F)cc1F>>COc1ccc2c(-c3ccc(F)cc3F)nc(Nc3cc[nH]n3)cc2c1 | 865 |
C=CCBr.CCOC(C)=O.CN(C)C=O.O=C([O-])[O-].Oc1ccc(Cc2cc(Br)ccc2Cl)cc1.[Cs+].[Cs+]>>C=CCOc1ccc(Cc2cc(Br)ccc2Cl)cc1 | 77 |
CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)O)n2-c1ccccc1.CN(C)c1ccncc1.Cl.ClCCCl.ClCCl.Nc1ccccc1>>CC(C)(C)CC(=O)Nc1ccc2c(c1)cc(C(=O)Nc1ccccc1)n2-c1ccccc1 | 548 |
CCO.CN.CN(C)C=O.COc1ncc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cc1C(=O)O~O=C(O)C(F)(F)F.ClCCl.[Cl-]>>CNC(=O)c1cc(-c2ccc3ncc4c(c3c2)n(-c2cn(C)nc2C)c(=O)n4C)cnc1OC | 674 |
COc1ccc(O)c(-c2cccc(-c3cccc(Br)n3)n2)c1.OB(O)c1ccccc1O>>COc1ccc(O)c(-c2cccc(-c3cccc(-c4ccccc4O)n3)n2)c1 | 869 |
CC(=O)c1ccc(O)cc1.CN(C)C=O.O.O=C([O-])[O-]~[K+]~[K+].OCCOCCCl>>CC(=O)c1ccc(OCCOCCO)cc1 | 74 |
Br[P+](N1CCCC1)(N1CCCC1)N1CCCC1~F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C.CCOC(C)=O.COC(=O)c1ccc(N)nc1.ClCCl.O=C(O)[C@H](CC1CCCCC1)N1CC(Oc2c(F)cccc2Cl)=CC1=O>>COC(=O)c1ccc(NC(=O)[C@H](CC2CCCCC2)N2CC(Oc3c(F)cccc3Cl)=CC2=O)nc1 | 368 |
CI.CN(C)C=O.Cc1ccc2c(c1Br)CCCC(=O)N2.[H-]~[Na+]>>Cc1ccc2c(c1Br)CCCC(=O)N2C | 237 |
C1CCOC1.CO.COC(=O)CCC1(c2ccccc2)C=C(c2cc(F)ccc2F)CN1C(=O)N(C)C.O.[Na+].[OH-]>>CN(C)C(=O)N1CC(c2cc(F)ccc2F)=CC1(CCC(=O)O)c1ccccc1 | 88 |