smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[N:1]([CH2:4][CH2:5][O:6][CH2:7][CH2:8][O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][O:15][CH2:16][CH2:17][O:18][CH2:19][CH2:20][NH:21][C:22](=[O:29])[CH2:23][O:24][CH2:25][C:26]([OH:28])=[O:27])=[N+]=[N-]>O>[NH2:1][CH2:4][CH2:5][O:6][CH2:7][CH2:8][O:9][CH2:10][CH2:11][O:12][CH2:13][CH2:14][O:15][CH2:16][CH2:17][O:18][CH2:19][CH2:20][NH:21][C:22](=[O:29])[CH2:23][O:24][CH2:25][C:26]([OH:28])=[O:27] | 1 |
ClC(C(=O)N=C=O)(Cl)Cl.NC1=C(C(=NC=C1C(=O)OCC)C1=NC(=CC(=C1C(F)(F)F)C)N(CC1=CC=C(C=C1)OC)CC1=CC=C(C=C1)OC)F>C1CCCO1>COC1=CC=C(CN(C2=CC(=C(C(=N2)C2=NC=C(C(=C2F)NC(=O)NC(C(Cl)(Cl)Cl)=O)C(=O)OCC)C(F)(F)F)C)CC2=CC=C(C=C2)OC)C=C1 | 3 |
ClC1=NCC(N(C2=C1C=C(C=C2)Cl)C)=O.COC1=CC=C(COC2=CC=C(C=C2)B2OC(C(O2)(C)C)(C)C)C=C1>>ClC1=CC\2=C(N(C(C\N=C2\C2=CC=C(C=C2)OCC2=CC=C(C=C2)OC)=O)C)C=C1 | 5 |
ONC(CCC(=O)N)=O.C(=O)(O)CCC=1NC=CC1>C(C)(=O)OCC.C1(CCCCC1)N=C=NC1CCCCC1>C(=O)(O)CCN1C=CC=C1 | 3 |
ClC1C=CC=C(C)C=1[C:4]([OH:6])=[O:5].[CH2:12](Cl)[CH2:13]Cl.Cl.[CH:17]1[CH:22]=N[C:20]2[N:23](O)N=N[C:19]=2[CH:18]=1.[CH2:27](N(CC)CC)C>ClCCl>[NH2:23][C@H:20]([C:4]([OH:6])=[O:5])[CH2:19][C:18]1[CH:17]=[CH:22][CH:13]=[CH:12][CH:27]=1 | 1 |
C([O:3][C:4]([C:6]1[CH:7]=[C:8]([C:12]2[C:13]([C:18]3[CH:23]=[C:22]([Cl:24])[CH:21]=[CH:20][C:19]=3[O:25][CH2:26][CH2:27][CH:28]([CH3:30])[CH3:29])=[CH:14][CH:15]=[CH:16][CH:17]=2)[CH:9]=[CH:10][CH:11]=1)=[O:5])C.[OH-].[Na+].Cl>C(O)C.O>[Cl:24][C:22]1[CH:21]=[CH:20][C:19]([O:25][CH2:26][CH2:27][CH:28]([CH3:30])[CH3:29])=[C:18]([C:13]2[C:12]([C:8]3[CH:9]=[CH:10][CH:11]=[C:6]([C:4]([OH:5])=[O:3])[CH:7]=3)=[CH:17][CH:16]=[CH:15][CH:14]=2)[CH:23]=1 | 1 |
O1C(OCCC1)[C@H](C)NC(OCC1=CC=CC=C1)=O>C1CCCO1.[HH].[Pd]>O1C(OCCC1)C(C)N | 3 |
C1(=CC=C(C=C1)NC(C1=CC(=C(C=C1)C(F)(F)F)[N+](=O)[O-])=O)C1=CC=CC=C1>C1CCCO1.[HH].C(C)(=O)OCC.[Pd]>NC=1C=C(C(=O)NC2=CC=C(C=C2)C2=CC=CC=C2)C=CC1C(F)(F)F | 3 |
[CH3:1][O:2][C:3](=[O:23])[CH:4]([CH3:22])[CH2:5][N:6]([C:12]1[C:17]([N+:18]([O-])=O)=[CH:16][N:15]=[C:14]([Cl:21])[N:13]=1)[CH:7]1[CH2:11][CH2:10][CH2:9][CH2:8]1.[H][H]>C(OCC)(=O)C.[Pd]>[CH3:1][O:2][C:3](=[O:23])[CH:4]([CH3:22])[CH2:5][N:6]([C:12]1[C:17]([NH2:18])=[CH:16][N:15]=[C:14]([Cl:21])[N:13]=1)[CH:7]1[CH2:8][CH2:9][CH2:10][CH2:11]1 | 1 |
OC(C)(C)C1CCNCC1.OCC=1C=CC(=C(C1)N[C@H]1CC[C@H](CC1)C(=O)NC(C)C)[N+](=O)[O-]>CC#N.CO[H].ClCCl.ClS(Cl)=O.N>OC(C)(C)C1CCN(CC1)CC=1C=CC(=C(C1)N[C@H]1CC[C@H](CC1)C(=O)NC(C)C)[N+](=O)[O-] | 3 |
[CH2:1]([Li])CCC.C(NC(C)C)(C)C.C1COCC1.[Br:18][C:19]1[CH:28]=[C:27]2[C:22]([CH2:23][CH2:24][CH2:25][C:26]2=[O:29])=[CH:21][CH:20]=1.IC>CCCCCC>[Br:18][C:19]1[CH:28]=[C:27]2[C:22]([CH2:23][CH2:24][CH:25]([CH3:1])[C:26]2=[O:29])=[CH:21][CH:20]=1 | 2 |
Cl.C(C)OC(CCN)=O.CC=1C=C(OC(CCC)C2=CC=C(C(=O)O)C=C2)C=C(C1N1N=CC(=C1)C(F)(F)F)C>>CC=1C=C(OC(CCC)C2=CC=C(C(=O)NCCC(=O)OCC)C=C2)C=C(C1N1N=CC(=C1)C(F)(F)F)C | 5 |
[C:1]([OH:24])(=[O:23])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22].O.[OH-].[Na+:27]>C(O)(C)(C)C>[C:1]([O-:24])(=[O:23])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22].[Na+:27] | 1 |
[CH2:1]([NH:3][C:4](=[O:12])[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][C:6]=1[Cl:11])[CH3:2].Br[C:14]1[C:23]2[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=2)[CH:17]=[CH:16][CH:15]=1>>[Cl:11][C:6]1[CH:7]=[CH:8][CH:9]=[C:10]([C:22]2[C:23]3[C:18](=[CH:17][CH:16]=[CH:15][CH:14]=3)[CH:19]=[CH:20][CH:21]=2)[C:5]=1[C:4]([NH:3][CH2:1][CH3:2])=[O:12] | 1 |
[CH3:1][C:2]1[CH:11]=[CH:10][C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]=1[O:12][C@H:13]1[C@H:19]([OH:20])[C@@H:18]([CH2:21][OH:22])[O:17][CH:15]([OH:16])[C@@H:14]1[OH:23].[C:24]([O-:27])(=O)[CH3:25].[Na+].C(O[C:33](=[O:35])[CH3:34])(=O)C>O>[C:3]([O:16][CH:15]1[O:17][C@H:18]([CH2:21][O:22][C:24](=[O:27])[CH3:25])[C@@H:19]([O:20][C:33](=[O:35])[CH3:34])[C@H:13]([O:12][C:3]2[C:4]3[C:9](=[CH:8][CH:7]=[CH:6][CH:5]=3)[CH:10]=[CH:11][C:2]=2[CH3:1])[C@H:14]1[O:23][C:15](=[O:16])[CH3:14])(=[O:12])[CH3:2] | 2 |
CC1(OB(OC1(C)C)C=1C=CC2=C(C=NS2)C1)C.CC1CN(C(=CC1)OS(=O)(=O)C(F)(F)F)C(=O)OC(C)(C)C>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].ClCCl.[Pd](Cl)Cl.C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2].C1(=CC=CC=C1)P(C1=CC=CC=C1)[C-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]>S1N=CC2=C1C=CC(=C2)C2=CCC(CN2C(=O)OC(C)(C)C)C | 3 |
ClC1=NC(=NC(=N1)NC=1NN=C(C1)C1CC1)NC1=CC=C2C(NNC2=C1)=O>>C1(CC1)C=1C=C(NN1)NC1=NC(=NC(=N1)OC)NC1=CC=C2C(NNC2=C1)=O | 5 |
[NH2:1][C:2]1[CH:7]=[C:6]([Br:8])[CH:5]=[C:4]([O:9][CH2:10][C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)[C:3]=1[NH:17][C:18]([CH:20]1[CH2:22][CH2:21]1)=O.Cl.[C:24]([BH3-])#N.[Na+].[OH-].[Na+]>CO.C=O.O>[CH2:10]([O:9][C:4]1[C:3]2[N:17]=[C:18]([CH:20]3[CH2:22][CH2:21]3)[N:1]([CH3:24])[C:2]=2[CH:7]=[C:6]([Br:8])[CH:5]=1)[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1 | 2 |
IC1=C(C#N)C=CC(=C1)[N+](=O)[O-]>>NC1=CC(=C(C#N)C=C1)I | 5 |
COC([C@H]1NCCC1)=O.ClCC(=O)O>>COC([C@H]1N(CCC1)NC(CCl)=O)=O | 5 |
COC1=C(C(=CC(=C1)CCCO[Si](C(C)C)(C(C)C)C(C)C)OC)O.[Si](C)(C)(C(C)(C)C)OC1=C(C=C(C=C1OC)[C@H]1OC(OC[C@H]1O)C1=CC=CC=C1)OC>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)C)C(=O)OC(C)C>C(C)(C)(C)[Si](C)(C)OC1=C(C=C(C=C1OC)[C@H]1OC(OC[C@@H]1OC1=C(C=C(C=C1OC)CCCO[Si](C(C)C)(C(C)C)C(C)C)OC)C1=CC=CC=C1)OC | 3 |
[Br:1][C:2]1[O:6][C:5]([C:7]([NH2:9])=[O:8])=[CH:4][CH:3]=1.[Cl:10][CH2:11][C:12]([CH2:14]Cl)=O>>[Br:1][C:2]1[O:6][C:5]([C:7]2[O:8][CH:14]=[C:12]([CH2:11][Cl:10])[N:9]=2)=[CH:4][CH:3]=1 | 1 |
N[C@H](C(=O)N1[C@@H](C[C@H](C1)O)C(=O)NCC1=CC=C(C=C1)C1=C(N=CS1)C)C(C)(C)C.FC1=CC=C(C=C1)C=1N(C2=CC=C(C=C2C1C)O)CC1=CC=C(OCCN2CCC(CC2)OCCOCC(=O)O)C=C1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>FC1=CC=C(C=C1)C=1N(C2=CC=C(C=C2C1C)O)CC1=CC=C(OCCN2CCC(CC2)OCCOCC(=O)N[C@H](C(=O)N2[C@@H](C[C@H](C2)O)C(=O)NCC2=CC=C(C=C2)C2=C(N=CS2)C)C(C)(C)C)C=C1 | 3 |
O.[C:2]([O:6][C:7]([NH:9][C@H:10]([C:15]([OH:17])=O)[CH2:11][CH:12]([CH3:14])[CH3:13])=[O:8])([CH3:5])([CH3:4])[CH3:3].C(N(CC)C(C)C)(C)C.F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2C=CC=CC=2N=N1.[F:51][C:52]1[CH:57]=[CH:56][C:55]([CH:58]([C:65]2[CH:70]=[CH:69][C:68]([F:71])=[CH:67][CH:66]=2)[N:59]2[CH2:64][CH2:63][NH:62][CH2:61][CH2:60]2)=[CH:54][CH:53]=1>CN(C=O)C.C(OCC)C>[C:2]([O:6][C:7](=[O:8])[NH:9][C@H:10]([C:15]([N:62]1[CH2:61][CH2:60][N:59]([CH:58]([C:65]2[CH:70]=[CH:69][C:68]([F:71])=[CH:67][CH:66]=2)[C:55]2[CH:54]=[CH:53][C:52]([F:51])=[CH:57][CH:56]=2)[CH2:64][CH2:63]1)=[O:17])[CH2:11][CH:12]([CH3:13])[CH3:14])([CH3:3])([CH3:4])[CH3:5] | 1 |
N1(CCCC1)CCNC(=O)C1=NC=C(C=C1)NC1=NC=C(C=N1)N.FC(C=1C=C(C(=O)NC=2C=CC(=C(C(=O)O)C2)C)C=CC1)(F)F>ClCCl.CN1CCOCC1.ClC1=NC(=NC(=N1)OC)OC>N1(CCCC1)CCNC(=O)C1=NC=C(C=C1)NC1=NC=C(C=N1)NC(C1=C(C=CC(=C1)NC(C1=CC(=CC=C1)C(F)(F)F)=O)C)=O | 3 |
[NH2:1][C:2]1[CH:11]=[CH:10][CH:9]=[C:8]2[C:3]=1[CH2:4][CH2:5][N:6]([CH3:12])[CH2:7]2.[CH2:13]([O:20][C:21]1[C:29]([Cl:30])=[CH:28][C:24]([C:25](O)=[O:26])=[C:23]([O:31][CH3:32])[CH:22]=1)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1>>[CH3:12][N:6]1[CH2:5][CH2:4][C:3]2[C:8](=[CH:9][CH:10]=[CH:11][C:2]=2[NH:1][C:25](=[O:26])[C:24]2[CH:28]=[C:29]([Cl:30])[C:21]([O:20][CH2:13][C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)=[CH:22][C:23]=2[O:31][CH3:32])[CH2:7]1 | 1 |
[CH2:1]([O:8][CH2:9][CH:10]1[CH2:14][O:13]C(C)(C)[O:11]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.P(=O)(O)(O)O.[OH-].[Na+].C([O-])([O-])=O.[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[OH-].[Mg+2].[Al+3]>O.C(O)C>[CH2:1]([O:8][CH2:9][CH:10]([OH:11])[CH2:14][OH:13])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
Br[C:2]1[S:3][C:4]([C:15]([O:17][CH2:18][CH3:19])=[O:16])=[C:5]([CH2:7][C:8]2[CH:13]=[CH:12][C:11]([Cl:14])=[CH:10][CH:9]=2)[N:6]=1.C(=O)([O-])[O-].[K+].[K+].[NH:26]1[CH2:31][CH2:30][O:29][CH2:28][CH2:27]1>CN1CCCC1=O>[Cl:14][C:11]1[CH:12]=[CH:13][C:8]([CH2:7][C:5]2[N:6]=[C:2]([N:26]3[CH2:31][CH2:30][O:29][CH2:28][CH2:27]3)[S:3][C:4]=2[C:15]([O:17][CH2:18][CH3:19])=[O:16])=[CH:9][CH:10]=1 | 1 |
C(=O)=O.C(=O)(O)C1C(NC(C1C1=CC=C(C=C1)Cl)C1=CC=CC=C1)=O>CCCCCC.C1(=CC=C(C=C1)C)C.C2=C(C=CC=C2C)C.C3=CC=CC(=C3C)C>ClC1=CC=C(C=C1)C1CC(NC1C1=CC=CC=C1)=O | 3 |
N=1C=C(N2C1C=CC=C2)C(=O)NC=2C=C(C=CC2C)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O.CSC>NC=1C=CC(=C(C1)NC(=O)C1=CN=C2N1C=CC=C2)C | 3 |
NC1=C(C(=O)OC)C=C(C=C1)C=1C(=NOC1C)C.BrC=1C=C(C=C(C1)C(F)(F)F)C(=O)N1C[C@@H](O[C@@H](C1)C)C>>CC1=NOC(=C1C=1C=CC(=C(C(=O)OC)C1)NC1=CC(=CC(=C1)C(F)(F)F)C(=O)N1C[C@H](O[C@H](C1)C)C)C | 5 |
[C:1](OCC12CC3CC(CC(O)(C3)C1)C2)(=[O:4])[CH:2]=[CH2:3].[C:18]([C:21]12[CH2:31][C:25]3([OH:32])[CH2:26][C:27]([OH:30])([CH2:29][C:23]([C:33]([OH:35])=[O:34])([CH2:24]3)[CH2:22]1)[CH2:28]2)([OH:20])=[O:19]>>[C:33]([C:23]12[CH2:24][C:25]3([O:32][C:1](=[O:4])[CH:2]=[CH2:3])[CH2:26][C:27]([OH:30])([CH2:28][C:21]([C:18]([OH:20])=[O:19])([CH2:31]3)[CH2:22]1)[CH2:29]2)([OH:35])=[O:34] | 1 |
COC(C1=C(C=CC=C1)N)=O.O.C(C=O)(=O)O.COC1=NC=C(C=C1)B(O)O>>COC(=O)C1=C(C=CC=C1)NC(C(=O)O)C=1C=NC(=CC1)OC | 5 |
CC(C(=O)OCC)C(=O)OCC.[O-]CCCC.[K+].C(C1=CC=CC=C1)SCBr>>C(C)OC(C(C(=O)OCC)(C)CSCC1=CC=CC=C1)=O | 5 |
C(C=C)OCCC=1C(=C(C=C(C1CC)OCOC)OCOC)Br>>COCOC=1C(=C(C(=C(C1)OCOC)CC)CCOCC(CO)O)Br | 5 |
C1(=CC=CC=C1)B(O)O.BrC1=NN=C2N1CCN(C2)C(=O)C2=C(C(=CC=C2)C(F)(F)F)Cl>C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].C([O-])([O-])=O.[Na+].[Na+].COCCOC>ClC1=C(C=CC=C1C(F)(F)F)C(=O)N1CC=2N(CC1)C(=NN2)C2=CC=CC=C2 | 3 |
C(C)N.C(#N)C1=CC=C(C=C1)SC1=CC=C(C(=O)O)C=C1>>C(#N)C1=CC=C(C=C1)SC1=CC=C(C(=O)NCC)C=C1 | 5 |
FC1=C(C=CC=C1)C=1SC=C(N1)C(=O)NC=1C=NC=CC1N1C[C@H](CCC1)NC(OC(C)(C)C)=O>Cl.O1CCOCC1>N[C@@H]1CN(CCC1)C1=C(C=NC=C1)NC(=O)C=1N=C(SC1)C1=C(C=CC=C1)F | 3 |
CI.N1(N=CC=C1)CC12CC3(CC(CC(C1)C3)C2)S>CO[H].C[O-].[Na+]>CSC12CC3(CC(CC(C1)C3)C2)CN2N=CC=C2 | 3 |
C(CC(C)C)N.CC1(OC2=C(C(O1)=O)C=CC(=C2)OC2=C(C=C(C=O)C=C2F)F)C>C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>OC1=CC2=C(C(OC(O2)(C)C)=O)C=C1 | 3 |
[NH2:1][C:2]1[C:3]([NH:10][C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)=[C:4]([CH:7]=[CH:8][CH:9]=1)[C:5]#[N:6].Cl.[CH:18](OCC)(OCC)OCC>>[C:11]1([N:10]2[C:3]3[C:4]([C:5]#[N:6])=[CH:7][CH:8]=[CH:9][C:2]=3[N:1]=[CH:18]2)[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1 | 2 |
C1(=CC=CC=C1)C1=CC(=NO1)C(=O)N[C@@H]1C[C@H](C1)C1=NC(=NO1)C(C)O[Si](C)(C)C(C)(C)C>CO[H].Cl.[HH].C(C)(=O)OCC>C1(=CC=CC=C1)C1=CC(=NO1)C(=O)N[C@@H]1C[C@H](C1)C1=NC(=NO1)C(C)O | 3 |
CI.ClC1=NC=CC(=C1F)I>C1CCCO1.C(C)(C)[N-]C(C)C.[Li+]>ClC1=NC=C(C(=C1F)C)I | 3 |
FC1=C(C=C2C(=NNC2=C1)C)C(=O)OC>>FC1=C(C=C2C(=NNC2=C1)C)C(=O)O | 5 |
[OH-].[Na+].C([O:5][C:6](=[O:38])[CH2:7][N:8]1[CH2:13][CH2:12][N:11]([S:14](=[O:37])(=[O:36])[NH:15][C:16]2[CH:21]=[C:20]([O:22][CH3:23])[N:19]=[C:18]([S:24]([CH2:27][C:28]3[CH:33]=[CH:32][CH:31]=[C:30]([F:34])[C:29]=3[F:35])(=[O:26])=[O:25])[N:17]=2)[CH2:10][CH2:9]1)C>CO>[F:35][C:29]1[C:30]([F:34])=[CH:31][CH:32]=[CH:33][C:28]=1[CH2:27][S:24]([C:18]1[N:17]=[C:16]([NH:15][S:14]([N:11]2[CH2:10][CH2:9][N:8]([CH2:7][C:6]([OH:38])=[O:5])[CH2:13][CH2:12]2)(=[O:36])=[O:37])[CH:21]=[C:20]([O:22][CH3:23])[N:19]=1)(=[O:25])=[O:26] | 1 |
N1CC(C2=CC=CC=C12)C(=O)OCC>>N1CC(C2=CC=CC=C12)CO | 5 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([CH2:13][C:14]([NH:16][C:17]2[CH:22]=[CH:21][C:20]([C:23]3[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=3)=[CH:19][C:18]=2[N+:29]([O-])=O)=O)[CH2:9][C:10]([OH:12])=[O:11])=[CH:4][CH:3]=1.[ClH:32]>C(O)(=O)C>[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]([CH2:13][C:14]2[NH:29][C:18]3[CH:19]=[C:20]([C:23]4[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=4)[CH:21]=[CH:22][C:17]=3[N:16]=2)[CH2:9][C:10]([OH:12])=[O:11])=[CH:4][CH:3]=1.[ClH:32] | 1 |
CC1=NC=C(C(=O)O)C=C1.BrC=1C(=C2C(=NC1)NC=C2N)F>ClCCl.CCN(CC)CC.[OH-].[Li+].O=C1OCCN1P(=O)(N1C(OCC1)=O)Cl>BrC=1C(=C2C(=NC1)NC=C2NC(C2=CN=C(C=C2)C)=O)F | 3 |
C12(CC(C1)C2)NC2=NC(=NC=C2C(=O)OC(C)C)NC2=C(C=C(C(=C2)[N+](=O)[O-])N(C)CCN(C)C)OC>C1CCCO1.CO[H].[Fe].[Cl-].[NH4+]>NC=1C(=CC(=C(C1)NC1=NC=C(C(=N1)NC12CC(C1)C2)C(=O)OC(C)C)OC)N(C)CCN(C)C | 3 |
COC(CCC=1OC=C(N1)C1=CC=C(C=C1)C(F)(F)F)=O>[H-].[Al+3].[Li+].[H-].[H-].[H-].O1CCCC1.C(Cl)Cl>FC(C1=CC=C(C=C1)C=1N=C(OC1)CCCO)(F)F | 3 |
C1(CC1)[C@H]1C[C@H](N(CC1)CC1=C2C=CN(C2=C(C=C1OC)C)C(=O)OC(C)(C)C)C1=CC(=C(C=C1)C(=O)OC)F>O.CO[H].Cl.C([O-])([O-])=O.[K+].[K+].O[Li].O>C1(CC1)[C@H]1C[C@H](N(CC1)CC1=C2C=CNC2=C(C=C1OC)C)C1=CC(=C(C(=O)O)C=C1)F | 3 |
[Cl:1][C:2]1[CH:16]=[C:15]([Cl:17])[C:14]([F:18])=[CH:13][C:3]=1[C:4](C1C=CC(F)=CC=1)=[O:5].[OH:19]O>OS(O)(=O)=O.O=S(=O)=O>[Cl:1][C:2]1[CH:16]=[C:15]([Cl:17])[C:14]([F:18])=[CH:13][C:3]=1[C:4]([OH:5])=[O:19] | 1 |
C(CC)(=O)NCC(C1=CC(=CC=C1)C(F)(F)F)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>NC(CNC(CC)=O)C1=CC(=CC=C1)C(F)(F)F | 3 |
[NH2:1][C:2]1[N:7]=[C:6]([CH2:8][O:9]/[N:10]=[C:11](/[C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)\[C:12]2[N:13](C)[O:14][C:15](=[O:17])[N:16]=2)[CH:5]=[CH:4][CH:3]=1.FC1C=CC([ClH][C:33](=O)[O-:34])=CC=1.N1C=CC=C[CH:37]=1.[CH3:42][C:43]([OH:48])([CH2:45][C:46]#[CH:47])[CH3:44]>C(#N)C>[CH3:37][N:16]1[C:15](=[O:17])[O:14][N:13]=[C:12]1/[C:11](=[N:10]\[O:9][CH2:8][C:6]1[N:7]=[C:2]([NH:1][C:33](=[O:34])[O:48][C:43]([CH3:44])([CH2:45][CH2:46][CH3:47])[CH3:42])[CH:3]=[CH:4][CH:5]=1)/[C:19]1[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1 | 2 |
BrCC(=O)NC1=NC=C(C=C1)Cl.COC(=O)C=1C=C2C(=NNC2=CC1)C(NC1CCN(CC1)C(C)C)=O>>COC(=O)C=1C=C2C(=NN(C2=CC1)CC(NC1=NC=C(C=C1)Cl)=O)C(NC1CCN(CC1)C(C)C)=O | 5 |
Br[CH2:2][C:3]12[O:9][CH:8]1[CH:7]=[C:6]([C:10]1[CH:15]=[CH:14][N:13]=[CH:12][C:11]=1[N+:16]([O-:18])=[O:17])[CH2:5][CH:4]2[CH3:19].[Cl-].[NH4+].[N-:22]=[N+:23]=[N-:24].[Na+].C(=O)(O)[O-].[Na+]>C(#N)C.O.C(O)C>[N:22]([CH:8]1[CH:7]=[C:6]([C:10]2[CH:15]=[CH:14][N:13]=[CH:12][C:11]=2[N+:16]([O-:18])=[O:17])[CH2:5][CH:4]([CH3:19])[C:3]21[O:9][CH2:2]2)=[N+:23]=[N-:24] | 2 |
O=CC1=CC(OC)=C(O)C=C1>>COC1=C(C(=CC(=C1)C=O)C2=CC(=CC(=C2O)OC)C=O)O | 5 |
BrCC(=O)NC1=C(C=CC=C1C(C)C)C(C)C>S(O)(O)(=O)=O.[N+](=O)(O)[O-]>BrCC(=O)NC1=C(C(=CC=C1C(C)C)[N+](=O)[O-])C(C)C | 3 |
[CH2:1]([O:5][C:6]1[CH:11]=[CH:10][C:9]([CH2:12][CH2:13][CH2:14][OH:15])=[C:8]([O:16][C:17]2[CH:22]=[CH:21][C:20]([C:23]([F:26])([F:25])[F:24])=[CH:19][N:18]=2)[CH:7]=1)[CH2:2][CH2:3][CH3:4].[CH2:27]([N:29]1[CH:33]=[C:32]([CH2:34][C:35]([O:37]C)=[O:36])[C:31](O)=[N:30]1)[CH3:28].C(P(CCCC)CCCC)CCC.N(C(N1CCCCC1)=O)=NC(N1CCCCC1)=O.O1CCCC1CO.[OH-].[Na+].Cl>O1CCCC1>[CH2:27]([N:29]1[CH:33]=[C:32]([CH2:34][C:35]([OH:37])=[O:36])[C:31]([O:15][CH2:14][CH2:13][CH2:12][C:9]2[CH:10]=[CH:11][C:6]([O:5][CH2:1][CH2:2][CH2:3][CH3:4])=[CH:7][C:8]=2[O:16][C:17]2[CH:22]=[CH:21][C:20]([C:23]([F:26])([F:24])[F:25])=[CH:19][N:18]=2)=[N:30]1)[CH3:28] | 2 |
OC1=C(C=C(C=C1)[N+](=O)[O-])C1NC(NC(=C1C(=O)OCC)C)=O>C(C)(=O)OC(C)=O>C(C)(=O)N1C(NC(=C(C1C1=C(C=CC(=C1)[N+](=O)[O-])OC(C)=O)C(=O)OCC)C)=O | 3 |
FC1(CCN(CC1)C(=O)C=1C=CC(=NC1)C1=CC2=C(SC(=C2)CC#N)C(=C1)C(F)(F)F)F>CO[H].[HH].[Al].[Ni]>NCCC1=CC2=C(S1)C(=CC(=C2)C2=CC=C(C=N2)C(=O)N2CCC(CC2)(F)F)C(F)(F)F | 3 |
ClC1C=CC=C(C(OO)=[O:9])C=1.[CH3:12][C:13]1[C:14]2[C:19]([N:20]=[C:21]3[C:26]=1[CH2:25][CH2:24][CH2:23][CH2:22]3)=[CH:18][CH:17]=[CH:16][CH:15]=2>ClCCl>[CH3:12][C:13]1[C:14]2[C:19]([N:20]=[C:21]3[C:26]=1[CH2:25][CH2:24][CH2:23][C:22]3=[O:9])=[CH:18][CH:17]=[CH:16][CH:15]=2 | 2 |
CS(=O)(=O)OCCCCOC.ClC1=CC=CC=2NC(=NC21)C(=O)N([C@H]2C[C@H](CN(C2)C(=O)OC(C)(C)C)C(=O)OC)CC(C)C>CN(C(C)=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=CC=CC2=C1N(C(=N2)C(=O)N([C@H]2C[C@H](CN(C2)C(=O)OC(C)(C)C)C(=O)OC)CC(C)C)CCCCOC | 3 |
CCN(C(C)C)C(C)C.[Cl:10][C:11]1[CH:19]=[C:18]([Cl:20])[CH:17]=[CH:16][C:12]=1[C:13]([OH:15])=O.CCN=C=NCCCN(C)C.C1C=CC2N(O)N=NC=2C=1.Cl.[O:43]=[C:44]([N:62]1[CH2:67][CH2:66][NH:65][CH2:64][CH2:63]1)[CH2:45][NH:46][C:47](=[O:61])[C:48]1[CH:53]=[CH:52][C:51]([O:54][C:55]2[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=2)=[CH:50][CH:49]=1>CN(C=O)C.O>[Cl:10][C:11]1[CH:19]=[C:18]([Cl:20])[CH:17]=[CH:16][C:12]=1[C:13]([N:65]1[CH2:66][CH2:67][N:62]([C:44](=[O:43])[CH2:45][NH:46][C:47](=[O:61])[C:48]2[CH:49]=[CH:50][C:51]([O:54][C:55]3[CH:56]=[CH:57][CH:58]=[CH:59][CH:60]=3)=[CH:52][CH:53]=2)[CH2:63][CH2:64]1)=[O:15] | 1 |
FC=1C=CC=C2CCC(C12)=O.CN([C@@H]1[C@H](CNC1)C1=CC=C(C=C1)N1CCN(CC1)C(=O)OC(C)(C)C)C>CO[H].[Cl-].[Zn+2].[Cl-].C(#N)[BH3-].[Na+]>CN([C@@H]1[C@H](CN(C1)C1CCC2=CC=CC(=C12)F)C1=CC=C(C=C1)N1CCN(CC1)C(=O)OC(C)(C)C)C | 3 |
C1(CCCCC1)O.O1CC1COC1=CC=CC=C1>O.C([O-])([O-])=O.[K+].[K+].Cl[Pd]Cl.[N+](CCCC)(CCCC)(CCCC)CCCC.[Br-]>OC(COC1=CC=CC=C1)COC1=CC=CC=C1 | 3 |
[N+:1]([C:4]1[CH:9]=[CH:8][C:7]([S:10]([CH3:13])(=[NH:12])=[O:11])=[CH:6][CH:5]=1)([O-:3])=[O:2].C(N(CC)CC)C.[CH3:21][O:22][CH2:23][C:24](Cl)=[O:25]>ClCCl>[N+:1]([C:4]1[CH:5]=[CH:6][C:7]([S:10]([CH3:13])(=[N:12][C:24](=[O:25])[CH2:23][O:22][CH3:21])=[O:11])=[CH:8][CH:9]=1)([O-:3])=[O:2] | 1 |
NC1=NC=C(C(=C1C1=CC=C(C=C1)O)CC)Br.CN1N=C2C=C(C=CC2=C1)B1OC(C(O1)(C)C)(C)C>C([O-])([O-])=O.[K+].[K+].O1CCOCC1.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>NC1=NC=C(C(=C1C1=CC=C(C=C1)O)CC)C=1C=CC2=CN(N=C2C1)C | 3 |
C(C1C=CC(C2SC(C)=C(C(F)(F)F)C=2CO)=CC=1)C.OC1C=CC(CCC(OCC)=O)=C(C)C=1C.[CH2:37]([C:39]1[CH:44]=[CH:43][C:42]([C:45]2[S:46][C:47]([CH3:71])=[C:48]([C:67]([F:70])([F:69])[F:68])[C:49]=2[CH2:50][O:51][C:52]2[CH:57]=[CH:56][C:55]([CH2:58][CH2:59][C:60]([O:62]CC)=[O:61])=[C:54]([CH3:65])[C:53]=2[CH3:66])=[CH:41][CH:40]=1)[CH3:38]>>[CH2:37]([C:39]1[CH:40]=[CH:41][C:42]([C:45]2[S:46][C:47]([CH3:71])=[C:48]([C:67]([F:69])([F:68])[F:70])[C:49]=2[CH2:50][O:51][C:52]2[CH:57]=[CH:56][C:55]([CH2:58][CH2:59][C:60]([OH:62])=[O:61])=[C:54]([CH3:65])[C:53]=2[CH3:66])=[CH:43][CH:44]=1)[CH3:38] | 1 |
ClC1=C(OC=2C(=NC(=NC2C)N2CCOCC2)O)C=C(C=C1)OC>P(=O)(Cl)(Cl)Cl>ClC1=NC(=NC(=C1OC1=C(C=CC(=C1)OC)Cl)C)N1CCOCC1 | 3 |
[F:1][C:2]1[CH:10]=[CH:9][C:5]([CH:6]=[N:7]O)=[CH:4][CH:3]=1>CC(O)=O.[Zn]>[F:1][C:2]1[CH:10]=[CH:9][C:5]([CH2:6][NH2:7])=[CH:4][CH:3]=1 | 2 |
COC(=O)C1(CN(CC1)CC1=CC(=CC=C1)OC1=CC=CC=C1)C>O.C1CCCO1.CO[H].[OH-].[Li+]>CC1(CN(CC1)CC1=CC(=CC=C1)OC1=CC=CC=C1)C(=O)O | 3 |
FC(C(=O)O)(F)F.O(C1=CC=CC=C1)C1=CC=C(C=C1)C1=C[C@@H]2[C@@H](CNC2)C1.O[C@@]1(CNC2=C(NC1=O)N=CC(=C2)/C=C/C(=O)O)C>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.Cl.CN(CCCN=C=NCC)C.O.ON1N=NC2=C1C=CC=C2>O[C@@]1(CNC2=C(NC1=O)N=CC(=C2)\C=C\C(N2C[C@H]1[C@@H](C2)CC(=C1)C1=CC=C(C=C1)OC1=CC=CC=C1)=O)C | 3 |
C(C)OC(C#C)OCC.C(C)(C)(C)OC(NC1=C(C=C(C=C1I)C#N)Br)=O>[Cu]I.N(C)(C)C=O.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2].CCN(CC)CC.C1CCC2=NCCCN2CC1>C(C)(C)(C)OC(=O)N1C(=CC2=CC(=CC(=C12)Br)C#N)C(OCC)OCC | 3 |
[CH3:1][C:2]1([CH3:27])[O:6][C@H:5]([C:7]([N:9]2[CH2:13][C@@H:12]([C:14]3[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[C:16]([OH:22])[CH:15]=3)[C@@:11]([C@H:24]([OH:26])[CH3:25])([CH3:23])[CH2:10]2)=[O:8])[CH2:4][O:3]1.C(=O)([O-])[O-].[K+].[K+].CS(O[CH:39]1[CH2:42][N:41]([CH:43]([C:50]2[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=2)[C:44]2[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=2)[CH2:40]1)(=O)=O.C(OCC)(=O)C>C(#N)C>[CH3:27][C:2]1([CH3:1])[O:6][C@H:5]([C:7]([N:9]2[CH2:13][C@@H:12]([C:14]3[CH:19]=[CH:18][C:17]([O:20][CH3:21])=[C:16]([O:22][CH:39]4[CH2:42][N:41]([CH:43]([C:44]5[CH:49]=[CH:48][CH:47]=[CH:46][CH:45]=5)[C:50]5[CH:55]=[CH:54][CH:53]=[CH:52][CH:51]=5)[CH2:40]4)[CH:15]=3)[C@@:11]([C@H:24]([OH:26])[CH3:25])([CH3:23])[CH2:10]2)=[O:8])[CH2:4][O:3]1 | 1 |
[CH2:1]([O:8][CH2:9][N:10]([C:23]1[N:28]=[C:27]([O:29][CH2:30][C:31]([F:34])([F:33])[F:32])[CH:26]=[C:25]([O:35][CH2:36][C:37]([F:40])([F:39])[F:38])[N:24]=1)[C:11](=[O:22])[NH:12][C:13]1[S:14][C:15]([C:18]([F:21])([F:20])[F:19])=[CH:16][CH:17]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[Na+].[CH3:43][O:44][CH2:45]Br>CN(C=O)C>[CH2:1]([O:8][CH2:9][N:10]([C:23]1[N:28]=[C:27]([O:29][CH2:30][C:31]([F:32])([F:33])[F:34])[CH:26]=[C:25]([O:35][CH2:36][C:37]([F:39])([F:40])[F:38])[N:24]=1)[C:11](=[O:22])[N:12]([CH2:43][O:44][CH3:45])[C:13]1[S:14][C:15]([C:18]([F:19])([F:20])[F:21])=[CH:16][CH:17]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
C1(=CC=CC=C1)N1CCNCC1.COC1=CC=C(C=C1)C1=CC(=NN1)NC(=O)OC1=CC=CC=C1>C(Cl)(Cl)(Cl)[H].C(C)OCC.CCN(CC)CC>COC1=CC=C(C=C1)C1=CC(=NN1)NC(=O)N1CCN(CC1)C1=CC=CC=C1 | 3 |
N(=C=O)CC(=O)OCC.C(C1=CC=CC=C1)OCCCCCCOCC(F)(F)C=1C=C(C=CC1)N>>C(C1=CC=CC=C1)OCCCCCCOCC(F)(F)C=1C=C(C=CC1)NC(=O)NCC(=O)OCC | 5 |
N1CCNCCNCCNCC1.ClCC=1N=NC=CC1>CC#N.C(=O)([O-])[O-].[Cs+].[Cs+]>N1=NC(=CC=C1)CN1CCN(CCN(CCN(CC1)CC=1N=NC=CC1)CC=1N=NC=CC1)CC=1N=NC=CC1 | 3 |
CN1N=C2C=CC=C(C2=C1)[C@H]1[C@@H](C1)C=NO>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>CN1N=C2C=CC=C(C2=C1)[C@H]1[C@@H](C1)CN | 3 |
CC1(C=C(C2=CC(=CC=C12)OCC1=CC=C(C(=O)OC)C=C1)C1=CC=CC=C1)C>C1CCCO1.CO[H].[OH-].[Na+]>CC1(C=C(C2=CC(=CC=C12)OCC1=C(C(=O)O)C=CC=C1)C1=CC=CC=C1)C | 3 |
[OH:1][C:2]1[C:27]([O:28][CH3:29])=[CH:26][C:5]2[C:6]3[N:11]([CH:12]([C:14]([CH3:19])([CH3:18])[CH2:15][O:16][CH3:17])[CH2:13][C:4]=2[CH:3]=1)[CH:10]=[C:9]([C:20]([O:22][CH2:23][CH3:24])=[O:21])[C:8](=[O:25])[CH:7]=3.C(=O)([O-])[O-].[K+].[K+].CC1C=CC(S(O[CH2:47][CH2:48][CH2:49][N:50]2[CH2:54][CH2:53][CH2:52][C:51]2=[O:55])(=O)=O)=CC=1.O>CN(C=O)C>[CH3:29][O:28][C:27]1[C:2]([O:1][CH2:47][CH2:48][CH2:49][N:50]2[CH2:54][CH2:53][CH2:52][C:51]2=[O:55])=[CH:3][C:4]2[CH2:13][CH:12]([C:14]([CH3:18])([CH3:19])[CH2:15][O:16][CH3:17])[N:11]3[C:6](=[CH:7][C:8](=[O:25])[C:9]([C:20]([O:22][CH2:23][CH3:24])=[O:21])=[CH:10]3)[C:5]=2[CH:26]=1 | 2 |
FC1C=C(F)C=CC=1C1C=C(COS(C)(=O)=O)C(=O)N(CC(C)C)N=1.[F:26][C:27]1[CH:28]=[C:29]([C:35]2[CH:36]=[C:37]([C:52]([O:54]C)=[O:53])[C:38](=[O:51])[N:39]([CH2:41][CH2:42][CH2:43][C:44]3[CH:49]=[CH:48][C:47]([F:50])=[CH:46][CH:45]=3)[N:40]=2)[CH:30]=[CH:31][C:32]=1[O:33][CH3:34]>>[C:52]([C:37]1[C:38](=[O:51])[N:39]([CH2:41][CH2:42][CH2:43][C:44]2[CH:49]=[CH:48][C:47]([F:50])=[CH:46][CH:45]=2)[N:40]=[C:35]([C:29]2[CH:30]=[CH:31][C:32]([O:33][CH3:34])=[C:27]([F:26])[CH:28]=2)[CH:36]=1)([OH:54])=[O:53] | 1 |
[NH2:1][C:2]1[CH:16]=[CH:15][C:5]2[N:6]([CH3:14])[C:7](=[O:13])[CH2:8][CH2:9][C:10]([CH3:12])([CH3:11])[C:4]=2[CH:3]=1.Cl[C:18]1[N:23]=[C:22]([NH:24][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=2[S:31]([CH:34]([CH3:36])[CH3:35])(=[O:33])=[O:32])[C:21]([Cl:37])=[CH:20][N:19]=1>>[Cl:37][C:21]1[C:22]([NH:24][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=2[S:31]([CH:34]([CH3:36])[CH3:35])(=[O:33])=[O:32])=[N:23][C:18]([NH:1][C:2]2[CH:16]=[CH:15][C:5]3[N:6]([CH3:14])[C:7](=[O:13])[CH2:8][CH2:9][C:10]([CH3:12])([CH3:11])[C:4]=3[CH:3]=2)=[N:19][CH:20]=1 | 1 |
[CH:1]1([C:4]2[CH:5]=[CH:6][C:7]([C:15]([OH:17])=O)=[N:8][C:9]=2[O:10][CH2:11][CH:12]2[CH2:14][CH2:13]2)[CH2:3][CH2:2]1.[NH2:18][C@@H:19]([CH2:24][C:25]([CH3:28])([CH3:27])[CH3:26])[C:20]([NH:22][CH3:23])=[O:21]>>[CH:1]1([C:4]2[CH:5]=[CH:6][C:7]([C:15]([NH:18][C@@H:19]([CH2:24][C:25]([CH3:28])([CH3:27])[CH3:26])[C:20]([NH:22][CH3:23])=[O:21])=[O:17])=[N:8][C:9]=2[O:10][CH2:11][CH:12]2[CH2:13][CH2:14]2)[CH2:2][CH2:3]1 | 1 |
C(C)(C)I.NC1=NC=NC(=C1O)Cl>CC(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>ClC1=C(C(=NC=N1)N)OC(C)C | 3 |
BrCC(=O)OC(C)(C)C.[N+](=O)([O-])C=1C=C(C=CC1)O>C([O-])([O-])=O.[K+].[K+].[HH].CC(=O)C>[N+](=O)([O-])C=1C=C(OCC(=O)OC(C)(C)C)C=CC1 | 3 |
[CH3:1][CH:2]([C@H:4]([NH:17][C:18]([O:20][CH2:21][C:22]1[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=1)=[O:19])[C:5]([O:7]C1C=CC([N+]([O-])=O)=CC=1)=O)[CH3:3].[NH2:28][CH2:29][C:30]([NH:32][C@H:33]([C:35]([N:37]1[CH2:48][CH2:47][CH2:46][C@H:38]1[C:39]([O:41][C:42]([CH3:45])([CH3:44])[CH3:43])=[O:40])=[O:36])[CH3:34])=[O:31]>C(OCC)(=O)C>[NH:17]([C:18]([O:20][CH2:21][C:22]1[CH:23]=[CH:24][CH:25]=[CH:26][CH:27]=1)=[O:19])[C@H:4]([C:5]([NH:28][CH2:29][C:30]([NH:32][C@H:33]([C:35]([N:37]1[CH2:48][CH2:47][CH2:46][C@H:38]1[C:39]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:40])=[O:36])[CH3:34])=[O:31])=[O:7])[CH:2]([CH3:1])[CH3:3] | 1 |
C(C)(=O)OC[C@@H]1[C@@](CC[C@@H](C1)OC(C)=O)(C)[C@@H]1[C@H]([C@@H]2C[C@@H]3[C@@](O3)([C@]2(CC1)C)C)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C>C(C)(=O)O>C(C)(=O)OC[C@@H]1[C@@](CC[C@@H](C1)OC(C)=O)(C)[C@@H]1[C@H](C=2C[C@H](C(C2CC1)(C)C)O)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C | 3 |
NC=1C=C(C=CC1C)NC(C1=CC(=C(C=C1)N1CCOCC1)C(F)(F)F)=O.C1(CC1)NC=1C2=C(N=CN1)C(=CS2)C(=O)O>>C1(CC1)NC1=NC=NC2=C1SC=C2C(=O)NC2=C(C=CC(=C2)NC(C2=CC(=C(C=C2)N2CCOCC2)C(F)(F)F)=O)C | 5 |
C(C)(C)(C)OC(=O)N1C[C@@H](CC1)O.ClC(C(=O)N=C=O)(Cl)Cl>CO[H].ClCCl>C(C)(C)(C)OC(=O)N1C[C@@H](CC1)OC(N)=O | 3 |
[C:1](Cl)(=[O:11])[C:2]1[CH:10]=[CH:9][C:5]([C:6](Cl)=[O:7])=[CH:4][CH:3]=1.C(Cl)(=O)CCCCC(Cl)=[O:19].[OH-:23].[Na+].[OH:25]C1C=CC(C2(C3C=CC(O)=CC=3)C3C=CC=CC=3C3C2=CC=CC=3)=CC=1>ClCCCl.O.[Cl-].C([N+](CC)(CC)CC)C>[C:6]([OH:19])(=[O:7])[CH2:5][CH2:4][CH2:3][CH2:2][C:1]([OH:11])=[O:23].[C:1]([OH:11])(=[O:25])[C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:7])=[O:23])=[CH:4][CH:3]=1 | 1 |
COC(=O)C=1OC=CC1.C(C1=CC=CC=C1)(=O)OC(C1=CC=CC=C1)=O>ClCCl.[Fe](Cl)(Cl)Cl>C1(=CC=CC=C1)C(=O)C=1OC(=CC1)C(=O)OC | 3 |
C([NH:11][C:12](=[N:47]C(OCC1C=CC=CC=1)=O)[NH:13][CH2:14][CH2:15][CH2:16][C@@H:17]([C:34]([NH:36][C@@H:37]([C:39]1[CH:44]=[CH:43][C:42]([O:45][CH3:46])=[CH:41][CH:40]=1)[CH3:38])=[O:35])[NH:18][C:19](=[O:33])[CH:20]([C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1)[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1)(OCC1C=CC=CC=1)=O.CC(O)=O.[ClH:62]>[Pd].CO>[ClH:62].[C:21]1([CH:20]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=2)[C:19]([NH:18][C@H:17]([C:34]([NH:36][C@@H:37]([C:39]2[CH:44]=[CH:43][C:42]([O:45][CH3:46])=[CH:41][CH:40]=2)[CH3:38])=[O:35])[CH2:16][CH2:15][CH2:14][NH:13][C:12](=[NH:11])[NH2:47])=[O:33])[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1 | 1 |
CC1(CN(CCN1)C1=NC(=CC=C1)C1=NN=NN1)C.C(C)(C)(C)C1=C2C(=NC(=C1)C1=CC=C(C=C1)Cl)C=C(O2)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>C(C)(C)(C)C1=C2C(=NC(=C1)C1=CC=C(C=C1)Cl)C=C(O2)C(=O)N2C(CN(CC2)C2=NC(=CC=C2)C2=NN=NN2)(C)C | 3 |
C1=NC2=C(C(=N1)Cl)N=CN2[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O>>N1C=C(C2=CC=CC=C12)CCNC=1C=2N=CN([C@H]3[C@H](O)[C@H](O)[C@@H](CO)O3)C2N=CN1 | 5 |
[NH2:1][C:2]12[CH2:7][C:6]1([CH2:8][OH:9])[CH2:5][N:4]([C:10]1[C:15]([F:16])=[CH:14][N:13]=[C:12]([Cl:17])[N:11]=1)[CH2:3]2.[F:18][C:19]1([F:25])[CH2:21][C@H:20]1[C:22](O)=[O:23].CCN(C(C)C)C(C)C>C(Cl)Cl>[Cl:17][C:12]1[N:11]=[C:10]([N:4]2[CH2:5][C@:6]3([CH2:8][OH:9])[C@@:2]([NH:1][C:22]([C@@H:20]4[CH2:21][C:19]4([F:25])[F:18])=[O:23])([CH2:7]3)[CH2:3]2)[C:15]([F:16])=[CH:14][N:13]=1 | 2 |
OC1=C(OCC(=O)O)C=CC(=C1)CN1C(OC2=C1C=CC(=C2)O)=O.NCCOCCOC1=C(C=C2C(=NC=NC2=C1)NC1=CC(=C(C=C1)F)Cl)OC>>ClC=1C=C(NC2=NC=NC3=CC(=C(C=C23)OC)OCCOCCNC(COC2=C(C=C(C=C2)CN2C(OC3=C2C=CC(=C3)O)=O)O)=O)C=CC1F | 5 |
CC1([C@H]([C@@H](CCC1)C)/C=C/C(=O)N1CCN(CC1)C(=O)N)C>CO[H].[HH].[Pd]>CC1([C@H]([C@@H](CCC1)C)CCC(=O)N1CCN(CC1)C(=O)N)C | 3 |
CC(CC(=O)O)CCCC(CCCC(CCCC(C)C)C)C>ClCCl.ClS(Cl)=O.c1ccncc1>C(CC(C)CCCC(C)CCCC(C)CCCC(C)C)(=O)Cl | 3 |
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