smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
NC1=NNC(=C1)C.FC(C1=NC2=C(C=CC=C2C(=N1)O)C(F)(F)F)(C1=NC=C(C=C1)F)F>>FC(C1=NC2=C(C=CC=C2C(=N1)NC1=NNC(=C1)C)C(F)(F)F)(C1=NC=C(C=C1)F)F | 5 |
[C:1]1([CH3:7])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[OH:8]N1C(=O)N(O)C(=O)N(O)[C:10]1=[O:19].[O:20]=O>C([O-])(=O)C.[Mn+2].C([O-])(=O)C.C(O)(=O)C>[C:10]([OH:19])(=[O:20])[C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[CH:7](=[O:8])[C:1]1[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1 | 2 |
IC1=C(N)C=CC=C1.C#CCCCC>[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].C(C)NCC>C(#CCCCC)C1=C(N)C=CC=C1 | 3 |
CC=1C=C(C=C2C=NNC12)C[C@H](C(=O)O)NC(=O)C=1C=C2C(=NC1)C[C@@]1(C(NC3=NC=C(C=C31)/C=C/COCCOCCN(C(OC(C)(C)C)=O)C)=O)C2>Cl.O1CCOCC1>Cl.CC=1C=C(C=C2C=NNC12)C[C@H](C(=O)O)NC(=O)C=1C=C2C(=NC1)C[C@@]1(C(NC3=NC=C(C=C31)\C=C\COCCOCCNC)=O)C2 | 3 |
[CH3:1][C:2]1([CH3:23])[C:6](=[O:7])[C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([F:14])[CH:9]=2)=[C:4]([C:15]2[CH:20]=[CH:19][C:18]([S:21][CH3:22])=[CH:17][CH:16]=2)[O:3]1.ClC1C=C(C=CC=1)C(OO)=[O:29].C(=O)(O)[O-].[Na+]>ClCCl>[CH3:1][C:2]1([CH3:23])[C:6](=[O:7])[C:5]([C:8]2[CH:13]=[CH:12][CH:11]=[C:10]([F:14])[CH:9]=2)=[C:4]([C:15]2[CH:20]=[CH:19][C:18]([S:21]([CH3:22])=[O:29])=[CH:17][CH:16]=2)[O:3]1 | 1 |
C12(CC3CC(CC(C1)C3)C2)C(=O)Cl.Cl.C12CNCC(CC1)O2>O.[OH-].[Na+]>C12(CC3CC(CC(C1)C3)C2)C(=O)N2CC3CCC(C2)O3 | 3 |
C1CCCCC1.C(C(O)C(O)C(=O)O)(=O)O.ClC=1C=C(CN(CC(C)C)C[C@H]2N(CCC2)C(=O)OC(C)(C)C)C=C(C1)Cl>>C(=O)(O)[C@H](O)[C@@H](O)C(=O)O.CC(CN(CC1=CC(=CC(=C1)Cl)Cl)C[C@H]1NCCC1)C | 5 |
FC1=CC=C(C(CBr)=O)C=C1.CN1CC2=C(NC=3C=CC(=CC23)C)CC1>[OH-].[K+].CN1C(CCC1)=O>CN1CC2=C(N(C=3C=CC(=CC23)C)CC(=O)C2=CC=C(C=C2)F)CC1 | 3 |
O[C:2]1[CH:11]=[C:10]2[C:5]([CH:6]=[CH:7][C:8](=[O:12])[O:9]2)=[CH:4][CH:3]=1.CCOC(/N=N/C(OCC)=O)=O.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CO>O1CCCC1>[O:9]1[C:10]2[C:5](=[CH:4][CH:3]=[CH:2][CH:11]=2)[CH:6]=[CH:7][C:8]1=[O:12] | 2 |
C1(=CC=CC=C1)C1=C(C(=O)O)C=CC=C1.C(C)OC(=O)C1(CC2=CC=CC=C2C1)N>N(C)(C)C=O.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)OC(=O)C1C(C2=CC=CC=C2C1)NC(=O)C=1C(=CC=CC1)C1=CC=CC=C1 | 3 |
[CH3:1][O:2][C:3]1[C:4]([CH3:13])=[C:5]([CH:10]=[CH:11][CH:12]=1)[C:6]([NH:8][NH2:9])=[O:7].[CH2:14]1[C:23](=O)[CH2:22][C:21]2[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=2)[CH2:15]1.CCOCC>CO.C(O)(=O)C>[CH2:20]1[C:21]2[C:16](=[CH:15][CH:14]=[CH:23][CH:22]=2)[CH2:17][CH2:18][C:19]1=[N:9][NH:8][C:6](=[O:7])[C:5]1[CH:10]=[CH:11][CH:12]=[C:3]([O:2][CH3:1])[C:4]=1[CH3:13] | 1 |
[Cl:1][C:2]1[C:3](O)=[N:4][C:5]([C:8]2[N:12]3[CH:13]=[C:14]([F:17])[CH:15]=[CH:16][C:11]3=[N:10][CH:9]=2)=[N:6][CH:7]=1.[OH-].[Na+].P(Cl)(Cl)([Cl:23])=O>>[Cl:23][C:3]1[C:2]([Cl:1])=[CH:7][N:6]=[C:5]([C:8]2[N:12]3[CH:13]=[C:14]([F:17])[CH:15]=[CH:16][C:11]3=[N:10][CH:9]=2)[N:4]=1 | 2 |
CS(=O)(=O)Cl.OC[C@@H]1CCC(N1)=O>ClCCl.CCN(CC)CC.CCO[H]>O=C1CC[C@H](N1)COS(=O)(=O)C | 3 |
C(O[C:4]([CH:6]1[CH2:11][CH2:10][N:9]([CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([NH:19]C(OC(C)(C)C)=O)[CH:14]=2)[CH2:8][CH2:7]1)=[O:5])C.C(OC(=O)NC1C=CC=C(C=O)C=1)(C)(C)C.[C:43]([NH:47]C(C1CCNCC1)=O)([CH3:46])([CH3:45])[CH3:44]>>[C:43]([NH:47][C:4]([CH:6]1[CH2:7][CH2:8][N:9]([CH2:12][C:13]2[CH:18]=[CH:17][CH:16]=[C:15]([NH2:19])[CH:14]=2)[CH2:10][CH2:11]1)=[O:5])([CH3:46])([CH3:45])[CH3:44] | 1 |
[CH3:1][N:2]([CH3:22])[CH2:3][CH2:4][NH:5][C:6](=[O:21])[N:7]([CH:18]([CH3:20])[CH3:19])[CH2:8][CH2:9][O:10][C:11]1[CH:16]=[CH:15][C:14]([NH2:17])=[CH:13][CH:12]=1.CC(N([CH2:30][CH2:31][O:32]C1C=CC(N)=CC=1)C(N)=O)C.C(Cl)(=O)C>C(N(CC)CC)C>[CH3:22][N:2]([CH3:1])[CH2:3][CH2:4][NH:5][C:6](=[O:21])[N:7]([CH:18]([CH3:19])[CH3:20])[CH2:8][CH2:9][O:10][C:11]1[CH:12]=[CH:13][C:14]([NH:17][C:31](=[O:32])[CH3:30])=[CH:15][CH:16]=1 | 1 |
C1COCCN1.C(C)(=O)NC1=CC=C(C=C1)C1=NC2=CC=C(C=C2C(=C1)C(=O)O)Cl>O.ClCCl.C(C)(C)N(C(C)C)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>ClC=1C=C2C(=CC(=NC2=CC1)C1=CC=C(C=C1)NC(C)=O)C(=O)N1CCOCC1 | 3 |
[H-].[Al+3].[Li+].[H-].[H-].[H-].[N:7]1[CH:12]=[CH:11][C:10](/[CH:13]=[CH:14]/[C:15]2[CH:20]=[CH:19][C:18]([C:21](OC)=[O:22])=[CH:17][N:16]=2)=[CH:9][CH:8]=1.N.CO>O1CCCC1>[OH:22][CH2:21][C:18]1[CH:19]=[CH:20][C:15](/[CH:14]=[CH:13]/[C:10]2[CH:9]=[CH:8][N:7]=[CH:12][CH:11]=2)=[N:16][CH:17]=1 | 1 |
C(C)(C)(C)OC(=O)N1[C@@H](C[C@H](C1)O)COC(C1=CC=C(C=C1)[N+](=O)[O-])=O>>C(C)(C)(C)OC(=O)N1[C@@H](CC(C1)=O)COC(C1=CC=C(C=C1)[N+](=O)[O-])=O | 5 |
C(C)(C)(C)OC(=O)N(C[C@@H](C(=O)O)C1=CC=C(C=C1)Cl)C(C)C.Cl.Cl.BrC=1C(=C2C(=NC1)NN=C2)N2CCNCC2>ClCCl.C(C)(C)N(C(C)C)CC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.[B-](F)(F)(F)F>BrC=1C(=C2C(=NC1)NN=C2)N2CCN(CC2)C([C@H](CN(C(OC(C)(C)C)=O)C(C)C)C2=CC=C(C=C2)Cl)=O | 3 |
[OH-].[Na+].[N+:3]([C:6]1[CH:17]=[CH:16][C:9]([CH2:10][C@@H:11]([C:13]([OH:15])=[O:14])[NH2:12])=[CH:8][CH:7]=1)([O-:5])=[O:4].C(=O)([O-])[O-].[Na+].[Na+].Cl[C:25]([O:27][CH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)=[O:26]>O>[C:25]([NH:12][C@H:11]([C:13]([OH:15])=[O:14])[CH2:10][C:9]1[CH:8]=[CH:7][C:6]([N+:3]([O-:5])=[O:4])=[CH:17][CH:16]=1)([O:27][CH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)=[O:26] | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.COC(C(NC(=O)OC(C)(C)C)=C)=O>>C(C)(C)(C)OC(=O)N(C(C(=O)OC)=C)C(=O)OC(C)(C)C | 5 |
Cl[C:2]1[CH:3]=[C:4]([NH:9][C@@H:10]2[C@@H:14]([C:15]3[CH:20]=[CH:19][C:18]([F:21])=[CH:17][CH:16]=3)[CH2:13][N:12]([S:22]([C:25]3[N:26]=[CH:27][N:28]([CH3:30])[CH:29]=3)(=[O:24])=[O:23])[CH2:11]2)[CH:5]=[CH:6][C:7]=1[F:8].[N:31]1[CH:36]=[CH:35][CH:34]=[C:33](B(O)O)[CH:32]=1.C1(P(C2CCCCC2)C2CCCCC2)CCCCC1.P([O-])([O-])([O-])=O.[K+].[K+].[K+]>O1CCOCC1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[F:21][C:18]1[CH:19]=[CH:20][C:15]([C@H:14]2[CH2:13][N:12]([S:22]([C:25]3[N:26]=[CH:27][N:28]([CH3:30])[CH:29]=3)(=[O:24])=[O:23])[CH2:11][C@@H:10]2[NH:9][C:4]2[CH:5]=[CH:6][C:7]([F:8])=[C:2]([C:33]3[CH:32]=[N:31][CH:36]=[CH:35][CH:34]=3)[CH:3]=2)=[CH:16][CH:17]=1 | 2 |
NC1=C(N=CN1C(CCCC1=CC=CC=C1)C(C)O)C(=O)N.C(C)OC(CC1=CC(=C(C=C1)Cl)OC(F)F)=O>>ClC1=C(C=C(CC=2NC(C=3N=CN(C3N2)C(CCCC2=CC=CC=C2)C(C)O)=O)C=C1)OC(F)F | 5 |
C1(=CC=CC=C1)C1=CC=C(C(=O)O)C=C1.ClC=1C=C(CN)C=CC1Cl>>ClC=1C=C(CNC(=O)C2=CC=C(C=C2)C2=CC=CC=C2)C=CC1Cl | 3 |
N(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C.C([C@H]1CCCO1)O>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C>O1[C@H](CCC1)CN(NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C | 3 |
[CH:1]1([C:4]2[N:5]([CH2:10][CH2:11][NH2:12])[CH:6]=[C:7]([I:9])[N:8]=2)[CH2:3][CH2:2]1.[Cl:13][C:14]1[CH:19]=[CH:18][C:17]([CH2:20][CH2:21][CH:22]=O)=[CH:16][C:15]=1[F:24]>>[Cl:13][C:14]1[CH:19]=[CH:18][C:17]([CH2:20][CH2:21][CH:22]2[NH:12][CH2:11][CH2:10][N:5]3[C:4]([CH:1]4[CH2:3][CH2:2]4)=[N:8][C:7]([I:9])=[C:6]23)=[CH:16][C:15]=1[F:24] | 2 |
Cl[C:2]1[N:7]=[C:6]([CH3:8])[N:5]=[C:4]([NH:9][C:10](=[O:12])[CH3:11])[CH:3]=1.[Cl:13][C:14]1[CH:15]=[N:16][CH:17]=[CH:18][C:19]=1B1OC(C)(C)C(C)(C)O1.C(=O)([O-])[O-].[Cs+].[Cs+].O1CCOCC1>[NH4+].[Cl-].[Pd+2].ClC1C=C[C-](P(C2C=CC=CC=2)C2C=CC=CC=2)C=1Cl.[C-]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=C1.[Fe+2].O>[Cl:13][C:14]1[CH:15]=[N:16][CH:17]=[CH:18][C:19]=1[C:2]1[N:7]=[C:6]([CH3:8])[N:5]=[C:4]([NH:9][C:10](=[O:12])[CH3:11])[CH:3]=1 | 1 |
COC1=CC=C(C=N1)C1(CNC(CC1)=O)CCC(=O)OCC>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>COC1=CC=C(C=N1)C1(CNCCC1)CCCO | 3 |
COC(CC1=CC(=CC=C1)C=O)=O.NCCCCC=1C(=NC(=NC1C)N)NCCCCC>>NC1=NC(=C(C(=N1)C)CCCCNCC=1C=C(C=CC1)CC(=O)OC)NCCCCC | 5 |
C(C)(C)(C)OC(=O)N[C@H](C(=O)O)CC1CC1.Cl.CN[C@@H](CC(C)C)C(=O)OC>N(C)(C)C=O.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)OC(=O)N[C@H](C(=O)N(C)[C@H](C(=O)OC)CC(C)C)CC1CC1 | 3 |
C(N=[CH:6][C:7]1[C:12]([C:13]([F:16])([F:15])[F:14])=[CH:11][C:10]([C:17]([F:20])([F:19])[F:18])=[CH:9][C:8]=1[CH:21]1[CH2:23][CH2:22]1)CCC.Cl.[OH2:25]>>[CH:21]1([C:8]2[CH:9]=[C:10]([C:17]([F:20])([F:19])[F:18])[CH:11]=[C:12]([C:13]([F:16])([F:15])[F:14])[C:7]=2[CH:6]=[O:25])[CH2:23][CH2:22]1 | 1 |
[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[CH:11]2[CH2:15][CH2:14][CH2:13][CH2:12]2)=[C:4](Cl)[N:3]=1.[CH3:17][O:18][C:19]1[CH:26]=[CH:25][CH:24]=[CH:23][C:20]=1[CH2:21][NH2:22]>C(N(CC)CC)C>[Cl:1][C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[CH:11]2[CH2:15][CH2:14][CH2:13][CH2:12]2)=[C:4]([NH:22][CH2:21][C:20]2[CH:23]=[CH:24][CH:25]=[CH:26][C:19]=2[O:18][CH3:17])[N:3]=1 | 1 |
FC=1C(=NC=C(C1)F)C(=O)O>>FC=1C(=NC=C(C1)F)C(=O)OCC | 5 |
COC1=C2OC=3C=C(C=CC3C(C2=CC=C1)=O)C(=O)O>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.C(C)NCC.CN(C)C(=[N+](C)C)ON1C2=C(C=CC=C2)N=N1.F[P-](F)(F)(F)(F)F>C(C)N(C(=O)C=1C=CC=2C(C3=CC=CC(=C3OC2C1)OC)=O)CC | 3 |
COC1C=CC(C(Cl)=O)=CC=1.[CH3:12][O:13][C:14]1[CH:15]=[C:16]2[C:21](=[CH:22][C:23]=1[O:24][CH3:25])[N:20]=[CH:19][CH:18]=[C:17]2[O:26][C:27]1[CH:33]=[CH:32][C:30]([NH2:31])=[CH:29][CH:28]=1.[CH3:34][O:35][C:36]1[CH:41]=[CH:40][C:39]([C:42]([N:44]=[C:45]=[S:46])=[O:43])=[CH:38][CH:37]=1>C1(C)C=CC=CC=1.C(O)C>[CH3:34][O:35][C:36]1[CH:37]=[CH:38][C:39]([C:42]([N:44]=[C:45]=[S:46])=[O:43])=[CH:40][CH:41]=1.[CH3:12][O:13][C:14]1[CH:15]=[C:16]2[C:21](=[CH:22][C:23]=1[O:24][CH3:25])[N:20]=[CH:19][CH:18]=[C:17]2[O:26][C:27]1[CH:33]=[CH:32][C:30]([NH:31][C:45]([NH:44][C:42](=[O:43])[C:39]2[CH:40]=[CH:41][C:36]([O:35][CH3:34])=[CH:37][CH:38]=2)=[S:46])=[CH:29][CH:28]=1 | 1 |
C(C)(=O)OC1=C(C=C2C(=N1)C=CS2)Br>O.CO[H].[OH-].[Na+]>BrC=1C=C2C(=NC1O)C=CS2 | 3 |
[CH3:1][CH:2]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[CH2:3][CH2:4][CH2:5][C:6]([O:8]CC)=[O:7].S(=O)(=O)(O)O.C(O)(=O)C>O>[CH3:1][CH:2]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[CH2:3][CH2:4][CH2:5][C:6]([OH:8])=[O:7] | 1 |
C(C)(C)(C)OC(=O)N[C@H](C(=O)N(C)[C@H](C(=O)O)CC1CC1)CC1CC1.Cl.CN(C(=O)C=1C=CC2=C(O[C@]3(CN[C@@H](C3)C(=O)N)C(N2)=O)C1)C>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(N)(=O)[C@@H]1C[C@]2(CN1C([C@H](CC1CC1)N(C([C@H](CC1CC1)NC(OC(C)(C)C)=O)=O)C)=O)OC1=C(CNC2=O)C=CC=C1 | 3 |
[Si](C)(C)(C(C)(C)C)O[C@@H](CC(=O)OCC)CO[Si](C)(C)C(C)(C)C>CO[H].C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>[Si](C)(C)(C(C)(C)C)O[C@@H](CC(=O)OCC)CO | 3 |
C1=CC(=CC=C1N)N.C1(\C=C/C(=O)O1)=O>C1CCCO1>NC1=CC=C(C=C1)N1C(C=CC1=O)=O | 3 |
ClC=1C=C(C=C(C1)Cl)C(C)N1CCN(CC1)C(=O)OC(C)(C)C>ClCCl.C(=O)(C(F)(F)F)O>ClC=1C=C(C=C(C1)Cl)C(C)N1CCNCC1 | 3 |
O=C1N(CC2=C(C[C@H]1CC(=O)OC)C=CC(=C2)OCCCNC2=NC=CC=N2)CC2=CC=C(C=C2)C(F)(F)F>Cl.[HH].[HH].[Pd].C(C)(=O)O>O=C1N(CC2=C(C[C@H]1CC(=O)OC)C=CC(=C2)OCCCNC2=NCCCN2)CC2=CC=C(C=C2)C(F)(F)F | 3 |
C[C@@H]1NC2=CC=C(C=C2[C@@H]([C@H]1C)NC(OCC1=CC=CC=C1)=O)OC1COCC1>ClCCl.C(C)(=O)Cl.C(C)(C)N(C(C)C)CC>C(C)(=O)N1[C@H]([C@@H]([C@H](C2=CC(=CC=C12)OC1COCC1)NC(OCC1=CC=CC=C1)=O)C)C | 3 |
S1C=C(C2=C1C=CC=C2)CCO>ClCCl.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>S1C=C(C2=C1C=CC=C2)CCOS(=O)(=O)C2=CC=C(C=C2)C | 3 |
C(=O)(O)[O-].[Na+].[CH3:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH:14]([OH:17])[CH2:15][CH3:16].Cl[O-].[Ca+2].Cl[O-]>C(#N)C>[CH3:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][C:14](=[O:17])[CH2:15][CH3:16] | 1 |
CC1(OB(OC1(C)C)C1=CC(=NC=C1)C#N)C.BrC1=CC=2N(C=C1)C=C(N2)[C@@]2(CN(CCC2)C(=O)OC(C)(C)C)F>N(C)(C)C=O.O.C(O)([O-])=O.[Na+].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]>C(#N)C1=NC=CC(=C1)C1=CC=2N(C=C1)C=C(N2)[C@@]2(CN(CCC2)C(=O)OC(C)(C)C)F | 3 |
C([NH:4][C@@H:5]1[C@@H:11]([OH:12])[C@H:10]([OH:13])[C@@H:9]([CH2:14][OH:15])[O:8][CH:6]1[OH:7])(=O)C.Cl.OC1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1N>O>[OH:7][CH:6]1[O:8][C@H:9]([CH2:14][OH:15])[C@@H:10]([OH:13])[C@H:11]([OH:12])[C@H:5]1[NH2:4] | 1 |
FC(F)(F)C(O)=O.[NH:8]1[CH2:13][CH2:12][CH:11]([N:14]2[CH2:18][CH2:17][CH:16]([S:19]([C:22]3[CH:27]=[CH:26][C:25]([OH:28])=[CH:24][CH:23]=3)(=[O:21])=[O:20])[CH2:15]2)[CH2:10][CH2:9]1.CCN(CC)CC.[C:36]1(B(O)O)[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1>C(Cl)Cl.C([O-])(=O)C.[Cu+2].C([O-])(=O)C>[C:36]1([N:8]2[CH2:13][CH2:12][CH:11]([N:14]3[CH2:18][CH2:17][CH:16]([S:19]([C:22]4[CH:23]=[CH:24][C:25]([OH:28])=[CH:26][CH:27]=4)(=[O:21])=[O:20])[CH2:15]3)[CH2:10][CH2:9]2)[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1 | 1 |
[OH:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[OH:11])[C:5]([OH:7])=[O:6].[CH2:12](O)[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.C1(C)C=CC(S(O)(=O)=O)=CC=1.C(=O)([O-])O.[Na+]>C1C=CC=CC=1>[OH:1][C:2]1[CH:3]=[C:4]([CH:8]=[CH:9][C:10]=1[OH:11])[C:5]([O:7][CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1)=[O:6] | 1 |
FC(OC=1C=C(C=CC1)B(O)O)(F)F.IC1=NNC2=NC=NC(=C21)N>>FC(OC=1C=C(C=CC1)C1=NNC2=NC=NC(=C21)N)(F)F | 5 |
COC=1C=C(C=C(C1)OC)N1C(N(C2=C(C1)C=NC1=C2C=C(N1S(=O)(=O)C1=CC=CC=C1)C1=CC=C(C=C1)N1CCN(CC1)C)C)=O>CC(C)(C)[O-].[K+].C1CCCO1>COC=1C=C(C=C(C1)OC)N1C(N(C2=C(C1)C=NC1=C2C=C(N1)C1=CC=C(C=C1)N1CCN(CC1)C)C)=O | 3 |
CC1=NOC(=C1C=1C(=CC(=C(C1)NCC(=O)OCC)[N+](=O)[O-])OC)C>CCO[H].C([O-])([O-])=O.[Na+].[Na+].O.O.[Sn](Cl)Cl>CC1=NOC(=C1C=1C=C2NCC(NC2=CC1OC)=O)C | 3 |
C(C)(C)(C)C1=C(C=C(C(=O)NC=2C=NC(=CC2)C2=C(C=CC=C2)F)C=C1)[N+](=O)[O-]>>NC=1C=C(C(=O)NC=2C=NC(=CC2)C2=C(C=CC=C2)F)C=CC1C(C)(C)C | 5 |
[Cl:1][C:2]1[CH:26]=[CH:25][C:5]([CH2:6][N:7]2[C:16]3[C:11](=[CH:12][C:13]([O:19][CH3:20])=[C:14]([O:17][CH3:18])[CH:15]=3)[C:10](=[O:21])[C:9]([C:22](O)=[O:23])=[CH:8]2)=[CH:4][CH:3]=1.O[NH:28][C:29](=[NH:37])[CH2:30][C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1>>[CH2:30]([C:29]1[N:37]=[C:22]([C:9]2[C:10](=[O:21])[C:11]3[C:16](=[CH:15][C:14]([O:17][CH3:18])=[C:13]([O:19][CH3:20])[CH:12]=3)[N:7]([CH2:6][C:5]3[CH:4]=[CH:3][C:2]([Cl:1])=[CH:26][CH:25]=3)[CH:8]=2)[O:23][N:28]=1)[C:31]1[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1 | 2 |
[CH3:1][O:2][C:3]1[CH:13]=[CH:12][C:6]([C:7]([O:9][CH2:10]Cl)=[O:8])=[CH:5][C:4]=1[CH3:14].[C:15]([NH:18][C:19]1[C:20]([I:35])=[C:21]([N:30]([C:32](=[O:34])[CH3:33])[CH3:31])[C:22]([I:29])=[C:23]([C:26]([O-:28])=[O:27])[C:24]=1[I:25])(=[O:17])[CH3:16].[K+].[I-].[Na+]>CN(C=O)C>[C:15]([NH:18][C:19]1[C:20]([I:35])=[C:21]([N:30]([C:32](=[O:34])[CH3:33])[CH3:31])[C:22]([I:29])=[C:23]([C:26]([O:28][CH2:10][O:9][C:7](=[O:8])[C:6]2[CH:12]=[CH:13][C:3]([O:2][CH3:1])=[C:4]([CH3:14])[CH:5]=2)=[O:27])[C:24]=1[I:25])(=[O:17])[CH3:16] | 1 |
C([O:5][C:6](/[CH:8]=[CH:9]/[C:10]1[N:18]([CH3:19])[C:17]2[C:16](=[O:20])[N:15]([CH3:21])[C:14](=[O:22])[N:13]([CH3:23])[C:12]=2[N:11]=1)=[O:7])(C)(C)C>C(O)(C(F)(F)F)=O>[C:6](/[CH:8]=[CH:9]/[C:10]1[N:18]([CH3:19])[C:17]2[C:16](=[O:20])[N:15]([CH3:21])[C:14](=[O:22])[N:13]([CH3:23])[C:12]=2[N:11]=1)([OH:7])=[O:5] | 1 |
Br[C:2]1[CH:10]=[CH:9][C:8]([O:11][CH3:12])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].C([Li])CCC.CON(C)C(=O)[C:22]1[CH:27]=[CH:26][CH:25]=[N:24][CH:23]=1>>[CH3:12][O:11][C:8]1[CH:9]=[CH:10][C:2]([C:22]2[CH:23]=[N:24][CH:25]=[CH:26][CH:27]=2)=[C:3]([CH:7]=1)[C:4]([OH:6])=[O:5] | 1 |
[CH3:1][O:2][C:3]1[S:7][C:6]2=[N:8][C:9]([C:11]3[O:12][C:13]4[C:14](=[C:16]([OH:20])[CH:17]=[CH:18][CH:19]=4)[N:15]=3)=[CH:10][N:5]2[N:4]=1.[O:21]1[CH:25]=[CH:24][C:23]([C:26]2[CH:27]=[C:28]([CH2:32]O)[CH:29]=[CH:30][CH:31]=2)=[CH:22]1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.CC(OC(/N=N/C(OC(C)C)=O)=O)C>C1COCC1.C(Cl)Cl>[O:21]1[CH:25]=[CH:24][C:23]([C:26]2[CH:27]=[C:28]([CH:29]=[CH:30][CH:31]=2)[CH2:32][O:20][C:16]2[C:14]3[N:15]=[C:11]([C:9]4[N:8]=[C:6]5[N:5]([CH:10]=4)[N:4]=[C:3]([O:2][CH3:1])[S:7]5)[O:12][C:13]=3[CH:19]=[CH:18][CH:17]=2)=[CH:22]1 | 2 |
BrC1=CC=C(C(=N1)N(C(C)=O)CC1=C(C=C(C=C1)C#N)Cl)[N+](=O)[O-]>>BrC1=CC=C2C(=N1)N(C(=N2)C)CC2=C(C=C(C=C2)C#N)Cl | 5 |
ClC=1C=C(CNC2=NC(=NC=C2C(=O)NCC2=NC=CC=N2)S(=O)C)C=CC1OC.C1CC12CCNCC2>C1CCCO1.ClCCl.CCN(CC)CC>ClC=1C=C(CNC2=NC(=NC=C2C(=O)NCC2=NC=CC=N2)N2CCC3(CC3)CC2)C=CC1OC | 3 |
C(C)N1N=C2CCCCC2=C1C1CCN(CC1)CC1=CC=CC=C1>CO[H].O.O.[Pd].C(=O)[O-].[NH4+]>C(C)N1N=C2CCCCC2=C1C1CCNCC1 | 3 |
[N+](=O)([O-])C1=C(C=CC=C1)S(=O)(=O)Cl.NC1=CC2=C([C@@H](CO2)CC(=O)OC)C=C1>>[N+](=O)([O-])C1=C(C=CC=C1)S(=O)(=O)NC1=CC2=C([C@@H](CO2)CC(=O)OC)C=C1 | 5 |
C(C)(C)(C)OC(=O)NCC(=O)O.NC1=CC=C(C(=O)OC)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>COC(C1=CC=C(C=C1)NC(CNC(=O)OC(C)(C)C)=O)=O | 3 |
P(Cl)(Cl)([Cl:3])=O.[Br:6][C:7]1[C:8]([F:20])=[CH:9][C:10]2[CH:16]3[CH2:17][CH:14]([CH2:15]3)[C:13](=O)[CH2:12][C:11]=2[CH:19]=1.CN(C)[CH:23]=[O:24]>>[Br:6][C:7]1[C:8]([F:20])=[CH:9][C:10]2[CH:16]3[CH2:17][CH:14]([CH2:15]3)[C:13]([Cl:3])=[C:12]([CH:23]=[O:24])[C:11]=2[CH:19]=1 | 1 |
C(C)C(CC)(C1=CC(=C(C=C1)C#CC1(CCCCC1)O)C)C1=CC(=C(C=C1)O)C>C1CCCO1.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C(C)C(CC)(C1=CC(=C(C=C1)\C=C\C1(CCCCC1)O)C)C1=CC(=C(C=C1)O)C | 3 |
[CH:1]([C@@H:4]1[NH:27][C:26]2[O:28][C:23](=[N:24][N:25]=2)[CH2:22][CH2:21][CH2:20][CH2:19][C:18]2[CH:29]=[C:30]3[C:15](=[CH:16][CH:17]=2)[C:14]([CH:31]=[CH2:32])=[CH:13][N:12]=[C:11]3[O:10][C@H:9]2[CH2:33][N:6]([C@H:7]([C:34]([O:36][CH3:37])=[O:35])[CH2:8]2)[C:5]1=[O:38])([CH3:3])[CH3:2]>CCO.[Pd]>[CH2:31]([C:14]1[C:15]2[C:30]3=[CH:29][C:18]([CH2:19][CH2:20][CH2:21][CH2:22][C:23]4[O:28][C:26]([NH:27][C@@H:4]([CH:1]([CH3:3])[CH3:2])[C:5](=[O:38])[N:6]5[CH2:33][C@H:9]([O:10][C:11]3=[N:12][CH:13]=1)[CH2:8][C@H:7]5[C:34]([O:36][CH3:37])=[O:35])=[N:25][N:24]=4)=[CH:17][CH:16]=2)[CH3:32] | 1 |
C(C)(C)(C)OC(=O)N([C@H](C(=O)O)CC)C.Cl.Cl.N[C@H](C(=O)N1C[C@@H]2N(C[C@H]1C(=O)N[C@@H]1CCOC3=CC=CC=C13)C[C@@H](C2)OCC)C2CCC(CC2)(F)F>N(C)(C)C=O.C(C)(C)N(C(C)C)CC.Cl.C(C)N=C=NCCCN(C)C.OC1=CC=CC=2NN=NC21>C(C)(C)(C)OC(N(C)[C@@H](CC)C(N[C@H](C(=O)N1C[C@@H]2N(C[C@H]1C(N[C@@H]1CCOC3=CC=CC=C13)=O)C[C@@H](C2)OCC)C2CCC(CC2)(F)F)=O)=O | 3 |
[CH:1]1([C:4]2[C:5]([O:21][CH2:22][C:23]([F:26])([F:25])[F:24])=[CH:6][C:7]([C:10]([NH:12][CH:13]([C:17]([CH3:20])([CH3:19])[CH3:18])[C:14](O)=[O:15])=[O:11])=[N:8][CH:9]=2)[CH2:3][CH2:2]1.[Cl-].[NH4+:28]>>[NH2:28][C:14](=[O:15])[CH:13]([NH:12][C:10]([C:7]1[CH:6]=[C:5]([O:21][CH2:22][C:23]([F:25])([F:24])[F:26])[C:4]([CH:1]2[CH2:3][CH2:2]2)=[CH:9][N:8]=1)=[O:11])[C:17]([CH3:20])([CH3:19])[CH3:18] | 1 |
CC(CCC(=O)O)C.C(C)(C)(C)OC(=O)N1[C@H](CNCC1)[C@H]([C@@H](CC1=CC=CC=C1)NC(C)=O)O>>C(C)(C)(C)OC(=O)N1[C@H](CN(CC1)C(CCC(C)C)=O)[C@H]([C@@H](CC1=CC=CC=C1)NC(C)=O)O | 5 |
[CH:1]1([N:4]([CH2:18][C:19]2[O:20][CH:21]=[C:22]([C:24]([N:26]3[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]3)=[O:25])[N:23]=2)[S:5]([C:8]2[C:13]([CH3:14])=[CH:12][C:11]([O:15][CH3:16])=[CH:10][C:9]=2[CH3:17])(=[O:7])=[O:6])[CH2:3][CH2:2]1.[CH3:32][C:33]1[C:37]([CH:38]=O)=[CH:36][NH:35][N:34]=1.CC(O)=O>ClCCCl>[CH:1]1([N:4]([CH2:18][C:19]2[O:20][CH:21]=[C:22]([C:24]([N:26]3[CH2:31][CH2:30][N:29]([CH2:38][C:37]4[C:33]([CH3:32])=[N:34][NH:35][CH:36]=4)[CH2:28][CH2:27]3)=[O:25])[N:23]=2)[S:5]([C:8]2[C:9]([CH3:17])=[CH:10][C:11]([O:15][CH3:16])=[CH:12][C:13]=2[CH3:14])(=[O:6])=[O:7])[CH2:2][CH2:3]1 | 1 |
COC1=CC=C(C=O)C=C1.COC=1C=C2C(=CN=NC2=CC1OC)N1CCC(CC1)N>>COC=1C=C2C(=CN=NC2=CC1OC)N1CCC(CC1)NCC1=CC=C(C=C1)OC | 5 |
[N+](=O)([O-])C=1C=NNC1.BrCCC1=CNC2=CC=C(C=C12)OC>>COC=1C=C2C(=CNC2=CC1)CCN1N=CC(=C1)[N+](=O)[O-] | 5 |
NC1=CC=C(C=C1)CCNS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)C1=CC=CC=C1)C(F)(F)F.[N+](=O)(O)[O-].CC1=NN(C(=C1)C)C(=N)N>>NC(=N)NC1=CC=C(C=C1)CCNS(=O)(=O)C1=C(C=CC(=C1)S(=O)(=O)C1=CC=CC=C1)C(F)(F)F | 3 |
O1C(CCCC1)N1N=C(C=C1)/C=C/C(=O)OC.[F-].FB(F)F.C(C)[S+](C1=CC=CC=C1)C1=CC=CC=C1>O.C(C)OCC.ClCCl.C(CO)O.C(C)(C)[N-]C(C)C.[Li+]>CC1C(C1C1=NN(C=C1)C1OCCCC1)C(=O)OC | 3 |
[CH3:1][O:2][C:3](=[O:40])[C@@H:4]([NH:32]C(OC(C)(C)C)=O)[CH2:5][C:6]1[CH:31]=[CH:30][C:9]2[O:10][C@H:11]([C:14]3[CH:19]=[CH:18][C:17]([O:20][CH2:21][C:22]4[CH:27]=[CH:26][C:25]([Cl:28])=[C:24]([Cl:29])[CH:23]=4)=[CH:16][CH:15]=3)[CH2:12][O:13][C:8]=2[CH:7]=1.Cl>C(Cl)Cl>[ClH:28].[CH3:1][O:2][C:3](=[O:40])[C@@H:4]([NH2:32])[CH2:5][C:6]1[CH:31]=[CH:30][C:9]2[O:10][C@H:11]([C:14]3[CH:19]=[CH:18][C:17]([O:20][CH2:21][C:22]4[CH:27]=[CH:26][C:25]([Cl:28])=[C:24]([Cl:29])[CH:23]=4)=[CH:16][CH:15]=3)[CH2:12][O:13][C:8]=2[CH:7]=1 | 1 |
F[C:2]1[CH:9]=[CH:8][C:7]([N+:10]([O-:12])=[O:11])=[CH:6][C:3]=1[C:4]#[N:5].[CH3:13][CH:14]([SH:16])[CH3:15].C(N(CC)CC)C.O>CN(C=O)C>[CH:14]([S:16][C:2]1[CH:9]=[CH:8][C:7]([N+:10]([O-:12])=[O:11])=[CH:6][C:3]=1[C:4]#[N:5])([CH3:15])[CH3:13] | 1 |
[NH2:1][C:2]([NH:4][C:5]1[CH:10]=[CH:9][CH:8]=[C:7]([Br:11])[CH:6]=1)=[S:3].[C:12]([O:20][C:21]1[CH:26]=[CH:25][C:24]([C:27](=O)[CH2:28]Br)=[CH:23][CH:22]=1)(=[O:19])[C:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.N1C=CC=CC=1>O1CCOCC1>[C:12]([O:20][C:21]1[CH:22]=[CH:23][C:24]([C:27]2[N:1]=[C:2]([NH:4][C:5]3[CH:10]=[CH:9][CH:8]=[C:7]([Br:11])[CH:6]=3)[S:3][CH:28]=2)=[CH:25][CH:26]=1)(=[O:19])[C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=1 | 2 |
O[C@@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)CC(=O)OC>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC.C1=CC=C(C=C1)OP(=O)(N=[N+]=[N-])OC2=CC=CC=C2>N(=[N+]=[N-])[C@H]1C[C@H](N(C1)C(=O)OC(C)(C)C)CC(=O)OC | 3 |
[C-]#N.[Zn+2].[C-]#N.BrC1=CSC=2C(N(CC21)[C@@H]2C(NCCCC2)=O)=O>N(C)(C)C=O.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C1(=CC=CC=C1)P([C-]1C=CC=C1)C1=CC=CC=C1.[C-]1(C=CC=C1)P(C1=CC=CC=C1)C1=CC=CC=C1.[Fe+2]>O=C1N(CC2=C1SC=C2C#N)[C@@H]2C(NCCCC2)=O | 3 |
C1(=CC=CC=C1)[C@@H](C)N.BrC=1C=C(C(=O)O)C=CC1Cl>N(C)(C)C=O.ClCCl.c1ccncc1.C(C(=O)Cl)(=O)Cl>BrC=1C=C(C(=O)N[C@H](C)C2=CC=CC=C2)C=CC1Cl | 3 |
[CH3:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=O)=[CH:4][C:3]=1[N+:11]([O-:13])=[O:12].C1C=CC2N(O)N=NC=2C=1.[CH2:24]([N:26]1[CH2:31][CH2:30][NH:29][CH2:28][CH2:27]1)[CH3:25]>ClCCl>[CH2:24]([N:26]1[CH2:31][CH2:30][N:29]([C:6]([C:5]2[CH:9]=[CH:10][C:2]([CH3:1])=[C:3]([N+:11]([O-:13])=[O:12])[CH:4]=2)=[O:8])[CH2:28][CH2:27]1)[CH3:25] | 1 |
FC1=CC=C(CN)C=C1.ClC1=NC(=CC=C1C#N)Cl>>ClC1=NC(=C(C#N)C=C1)NCC1=CC(=CC=C1)F | 5 |
C1(C=2C(C(N1CCCOC1=CC=NC=C1)=O)=CC=CC2)=O>CO[H].CO.Cl>Cl.C1(C=2C(C(N1CCCOC1=CC=NC=C1)=O)=CC=CC2)=O | 3 |
C(=O)C(C(=O)OCC)C=O.C(C)(C)(C)C1=CC=C(C=C1)CNN>CCO[H]>C(C)(C)(C)C1=CC=C(C=C1)N1N=CC(=C1)C(=O)OCC | 3 |
[N:1]1[CH:6]=[CH:5][C:4]([CH2:7][C:8](=[S:10])[NH2:9])=[CH:3][CH:2]=1.C(=O)([O-])[O-].[Ca+2].Br[CH:17]1[C:22](=O)[CH2:21][CH2:20][N:19]([C:24]([O:26][CH2:27][CH3:28])=[O:25])[CH2:18]1>CC(O)C>[N:1]1[CH:6]=[CH:5][C:4]([CH2:7][C:8]2[S:10][C:17]3[CH2:18][N:19]([C:24]([O:26][CH2:27][CH3:28])=[O:25])[CH2:20][CH2:21][C:22]=3[N:9]=2)=[CH:3][CH:2]=1 | 1 |
[C:1]1(=[O:7])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[Mg].[CH2:9]([O:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]([F:26])([F:25])[F:24])=[CH:19][C:18]=1I)[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1>C(OCC)C>[C:10]1([CH2:9][O:16][C:17]2[CH:22]=[CH:21][C:20]([C:23]([F:26])([F:25])[F:24])=[CH:19][C:18]=2[C:1]2([OH:7])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]2)[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1 | 2 |
OCC=C(C)CCC=C(C)CCC=C(C)C>>ClCC=C(CCC=C(CCC=C(C)C)C)C | 5 |
[Si](OCC)(OCC)(OCC)CCCNC(=O)NCCCl>>[Si](OCC)(OCC)(OCC)CCCNC(=O)NCCSC | 5 |
[CH:1]1([C:4]2[C:5]([N:25]([CH2:30][CH2:31][CH2:32][CH2:33][S:34]([CH3:37])(=[O:36])=[O:35])[S:26]([CH3:29])(=[O:28])=[O:27])=[CH:6][C:7]3[O:11][C:10]([C:12]4[CH:17]=[CH:16][C:15]([OH:18])=[CH:14][CH:13]=4)=[C:9]([C:19]4[NH:20][CH:21]=[CH:22][N:23]=4)[C:8]=3[CH:24]=2)[CH2:3][CH2:2]1.[F:38][C:39]([F:54])([S:50](F)(=[O:52])=[O:51])[C:40]([F:49])([F:48])[C:41]([F:47])([F:46])[C:42]([F:45])([F:44])[F:43].C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[F:54][C:39]([F:38])([S:50]([O:18][C:15]1[CH:16]=[CH:17][C:12]([C:10]2[O:11][C:7]3[CH:6]=[C:5]([N:25]([CH2:30][CH2:31][CH2:32][CH2:33][S:34]([CH3:37])(=[O:35])=[O:36])[S:26]([CH3:29])(=[O:27])=[O:28])[C:4]([CH:1]4[CH2:3][CH2:2]4)=[CH:24][C:8]=3[C:9]=2[C:19]2[NH:23][CH:22]=[CH:21][N:20]=2)=[CH:13][CH:14]=1)(=[O:52])=[O:51])[C:40]([F:48])([F:49])[C:41]([F:47])([F:46])[C:42]([F:45])([F:44])[F:43] | 1 |
C(CC=C)C=1N(C(=CN1)C1=NC(=NC=C1)NC1=CC=C(C=C1)S(N(COCC[Si](C)(C)C)CCOC)(=O)=O)CCC>>C(CC=C)C=1N(C(=CN1)C1=NC(=NC=C1)NC1=CC=C(C=C1)S(NCCOC)(=O)=O)CCC | 5 |
[CH2:1]([O:8][C:9]1[CH:10]=[C:11]2[C:15](=[CH:16][CH:17]=1)[NH:14][CH:13]=[CH:12]2)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[H-].[Na+].[OH:20][C:21]([CH3:36])([CH3:35])[CH2:22][CH2:23]OS(C1C=CC(C)=CC=1)(=O)=O>CN(C)C=O>[CH2:1]([O:8][C:9]1[CH:10]=[C:11]2[C:15](=[CH:16][CH:17]=1)[N:14]([CH2:23][CH2:22][C:21]([CH3:36])([OH:20])[CH3:35])[CH:13]=[CH:12]2)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1 | 2 |
C12C(CCC1)O2.[N+](=O)([O-])C=1NC=CN1>CCO[H].C([O-])([O-])=O.[K+].[K+]>OC1C(CCC1)N1C(=NC=C1)[N+](=O)[O-] | 3 |
C(/C(/Cl)=C(/Cl)\C=O)(=O)O.CC1(CC(CC(C1)(C)C)NNC(=O)OC(C)(C)C)C>Cl>ClC=1C(N(N=CC1Cl)C1CC(CC(C1)(C)C)(C)C)=O | 3 |
[OH:1][C:2]1[CH:18]=[CH:17][C:5]([O:6][CH2:7][C:8]([NH:10][C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=2)=O)=[CH:4][CH:3]=1.[H-].[H-].[H-].[H-].[Li+].[Al+3]>C1COCC1>[C:11]1([NH:10][CH2:8][CH2:7][O:6][C:5]2[CH:4]=[CH:3][C:2]([OH:1])=[CH:18][CH:17]=2)[CH:12]=[CH:13][CH:14]=[CH:15][CH:16]=1 | 1 |
C(N)(OC(C)(C)C)=O.BrC=1C=2N(C=C(C1)C1CC1)C=C(N2)CN2N=NC(=C2)C(=O)OCC2=CC=CC=C2>O.O1CCOCC1.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(C)(C)OC(=O)NC=1C=2N(C=C(C1)C1CC1)C=C(N2)CN2N=NC(=C2)C(=O)OCC2=CC=CC=C2 | 3 |
[C:1]([O:5][C:6]([NH:8][CH2:9][C:10]1[N:15]=[C:14]([C:16]([O:18][CH2:19][CH3:20])=[O:17])[CH:13]=[CH:12][CH:11]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2]>CC(O)=O>[C:1]([O:5][C:6]([NH:8][CH2:9][CH:10]1[NH:15][CH:14]([C:16]([O:18][CH2:19][CH3:20])=[O:17])[CH2:13][CH2:12][CH2:11]1)=[O:7])([CH3:4])([CH3:3])[CH3:2] | 1 |
ClC1=CC(=C(OC2=CC=C(C=C2)O)C=C1)[N+](=O)[O-]>>NC1=C(OC2=CC=C(C=C2)O)C=CC(=C1)Cl | 5 |
NC1=CC=C(C(=C1CO)F)OC>CC#N.N(=O)OC(C)(C)C.N(=[N+]=[N-])[Si](C)(C)C>N(=[N+]=[N-])C1=CC=C(C(=C1CO)F)OC | 3 |
ClC=1N=C(C2=C(N1)C=C(S2)CNC)N2CCOCC2>ClCCl.CCN(CC)CC.C(C)(=O)Cl>ClC=1N=C(C2=C(N1)C=C(S2)CN(C(C)=O)C)N2CCOCC2 | 3 |
C[C@@H](C(=O)O)NC(=O)OC(C)(C)C.N[C@H](C(=O)N[C@H](C(=O)NCCCNC=1SC(=CN1)C=O)C)C>ClCCl.CN1CCOCC1.CCN=C=NCCCN(C)C.ON1N=NC2=C1N=CC=C2>C(=O)C1=CN=C(S1)NCCCNC([C@H](C)NC([C@H](C)NC([C@H](C)NC(OC(C)(C)C)=O)=O)=O)=O | 3 |
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