smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C1(S(O)(=O)=O)C=CC=CC=1.C1(S(O)(=O)=O)C=CC=CC=1.[NH2:21][C:22]1([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)[CH2:27][CH2:26][NH:25][CH2:24][CH2:23]1.Cl.[C:35]([N:43]1[CH2:48][CH2:47][CH2:46][C:45]([C:65]2[CH:70]=[CH:69][C:68]([Cl:71])=[C:67]([Cl:72])[CH:66]=2)([CH2:49][CH2:50][CH2:51]N2CCC(C(N3CCCC3)=O)CC2)[CH2:44]1)(=[O:42])[C:36]1[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=1.C([O-])([O-])=O.[K+].[K+]>CN(C=O)C.C(#N)C>[NH2:21][C:22]1([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)[CH2:27][CH2:26][N:25]([CH2:51][CH2:50][CH2:49][C:45]2([C:65]3[CH:70]=[CH:69][C:68]([Cl:71])=[C:67]([Cl:72])[CH:66]=3)[CH2:46][CH2:47][CH2:48][N:43]([C:35](=[O:42])[C:36]3[CH:41]=[CH:40][CH:39]=[CH:38][CH:37]=3)[CH2:44]2)[CH2:24][CH2:23]1 | 1 |
CC1(OB(OC1(C)C)C=1C=CC(=NC1)N1CCNCC1)C.BrC1=CC=C(O1)C=C1C(NC2=CC=C(C=C12)Cl)=O>>ClC=1C=C2C(C(NC2=CC1)=O)=CC=1OC(=CC1)C=1C=NC(=CC1)N1CCNCC1 | 5 |
C(#N)C1=CC(=C(CN2N=CC=3C2=NC(=CC3)N3CCN(CC3)C(=O)OC(C)(C)C)C=C1)F>Cl.C(C)(=O)OCC>FC=1C=C(C#N)C=CC1CN1N=CC=2C1=NC(=CC2)N2CCNCC2 | 3 |
ClC1=CC=C(CC(C(=O)[C@@H]2N(CCC2)C(=O)OCC2=CC=CC=C2)C(C)=O)C=C1>CCO[H].Cl.NO>ClC1=CC=C(CC=2C(=NOC2[C@@H]2N(CCC2)C(=O)OCC2=CC=CC=C2)C)C=C1 | 3 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C1=C(C=O)C=CC=C1F>C1CCCO1.CC(C)(C)[S@](=O)N.[O-]CC.[Ti+4].[O-]CC.[O-]CC.[O-]CC>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=C(C=N[S@@](=O)C(C)(C)C)C=CC=C1F | 3 |
CC(C)(C)OC(=O)N1C2=NC=NC(=C2N=C1)N1CCC2(CC1)N(C(N1C2=NC2=C1C=CC=C2OCC2=CC=CC=C2)=O)C(=O)OC(C)(C)C>ClCCl.CCO[H].[HH].C(C)(=O)OCC.[Pd]>OC1=CC=CC=2N3C(=NC21)C2(CCN(CC2)C2=C1N=CN(C1=NC=N2)C(=O)OC(C)(C)C)N(C3=O)C(=O)OC(C)(C)C | 3 |
Cl.NC1=NC=CC=C1CN.CN(/C(=C/C(=O)C1=C(C=C(C=C1)C=1C(=NOC1C)C)F)/C)C>>NC1=NC=CC=C1CN\C(=C/C(=O)C1=C(C=C(C=C1)C=1C(=NOC1C)C)F)\C | 5 |
C1=CC2=C(C=C1C=O)OCO2>[HH].[Ni].C(CC)O>C(C1=CC=2OCOC2C=C1)O | 3 |
[CH:1]1([CH:6](O)[C:7]2[CH:12]=[CH:11][C:10]([C:13]3([C:16]#[N:17])[CH2:15][CH2:14]3)=[CH:9][CH:8]=2)[CH2:5][CH2:4][CH2:3][CH2:2]1.C(Cl)Cl.C(N(S(F)(F)[F:28])CC)C.C([O-])(O)=O.[Na+]>>[CH:1]1([CH:6]([F:28])[C:7]2[CH:12]=[CH:11][C:10]([C:13]3([C:16]#[N:17])[CH2:15][CH2:14]3)=[CH:9][CH:8]=2)[CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
C(C=C)[C@@H]1C[C@H](N2C1=NC=C(C2=O)N(C(=O)OCC2=CC=CC=C2)CC=C)C(=O)O.Cl.C(C1=CC=CC=C1)OC(NC(=N)C1=CC=C(C=C1)CN)=O>>C(C=C)N(C(OCC1=CC=CC=C1)=O)C1=CN=C2N(C1=O)[C@@H](C[C@H]2CC=C)C(NCC2=CC=C(C=C2)C(=N)NC(=O)OCC2=CC=CC=C2)=O | 5 |
CI.ClC=1C(=CC(NC1)=O)O>>ClC=1C(=CC(N(C1)C)=O)OC | 5 |
C(=O)C=1C=C2C(=NN(C2=CC1NC(C)=O)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC(=NC=C1)C>CC(=O)C>C(C)(=O)NC1=C(C=C2C(=NN(C2=C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)C1=CC(=NC=C1)C)C(=O)O | 3 |
CC1=NN(C=C1B1OC(C(O1)(C)C)(C)C)CC(F)(F)F.BrC1=NC(=CC=C1C(C)=O)Cl>O.C([O-])([O-])=O.[K+].[K+].O1CCOCC1.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]>ClC1=CC=C(C(=N1)C=1C(=NN(C1)CC(F)(F)F)C)C(C)=O | 3 |
[C:1]1([CH3:8])[C:6]([OH:7])=[CH:5][CH:4]=[CH:3][CH:2]=1.Cl[CH2:10][C:11]([CH3:13])=[CH2:12].C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O>[CH3:8][C:1]1[CH:2]=[CH:3][CH:4]=[CH:5][C:6]=1[O:7][CH2:12][C:11]([CH3:13])=[CH2:10] | 2 |
[CH3:1][C:2]1[C:11]([CH2:12][CH2:13]Cl)=[C:10](Cl)[C:9]2[C:4](=[C:5]([CH3:16])[CH:6]=[CH:7][CH:8]=2)[N:3]=1.Cl.[CH3:18][C:19]1[CH:25]=[CH:24][CH:23]=[CH:22][C:20]=1[NH2:21]>C(O)CCC>[CH3:18][C:19]1[CH:25]=[CH:24][CH:23]=[CH:22][C:20]=1[N:21]1[C:10]2[C:9]3[CH:8]=[CH:7][CH:6]=[C:5]([CH3:16])[C:4]=3[N:3]=[C:2]([CH3:1])[C:11]=2[CH2:12][CH2:13]1 | 1 |
C1(CCCCC1)C(=O)Cl.NC1=NC=C(N=C1)Br>C1CCCO1.C(C)(C)N(C(C)C)CC>BrC=1N=CC(=NC1)NC(=O)C1CCCCC1 | 3 |
[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][NH:7][C:8]1[C:13]([N+:14]([O-])=O)=[C:12]([O:17][C:18]2[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=2)[N:11]=[C:10]([CH3:24])[C:9]=1[CH3:25]>C1(C)C=CC=CC=1.[Pt]>[Cl:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][NH:7][C:8]1[C:9]([CH3:25])=[C:10]([CH3:24])[N:11]=[C:12]([O:17][C:18]2[CH:19]=[CH:20][CH:21]=[CH:22][CH:23]=2)[C:13]=1[NH2:14] | 1 |
Br[C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[CH2:7])=[CH:4][CH:3]=1.[Mg].[CH3:11]/[C:12](/[CH2:31][CH2:32][CH:33]=[C:34]([CH3:36])[CH3:35])=[CH:13]\[CH2:14][O:15][C:16](=[O:30])[C:17](OC/C=C(\C)/CCC=C(C)C)=[O:18].[NH4+].[Cl-].C1(C=CC(O)=CC=1)O>C1COCC1.CCCCCCC.CCOCC>[O:18]=[C:17]([C:2]1[CH:9]=[CH:8][C:5]([CH:6]=[CH2:7])=[CH:4][CH:3]=1)[C:16]([O:15][CH2:14]/[CH:13]=[C:12](\[CH3:11])/[CH2:31][CH2:32][CH:33]=[C:34]([CH3:36])[CH3:35])=[O:30] | 1 |
C(C)(=O)OC(C)=O.IC1=C(C(C(=O)O)=CC=C1)C(=O)O>>IC1=C2C(C(=O)OC2=O)=CC=C1 | 3 |
BrC1=C(C=C(C(=O)OC)C=C1)C(=O)OC>C1CCCO1.CC(C)C[AlH]CC(C)C.CCCCCC>BrC1=C(C=C(C(=O)OC)C=C1)CO | 3 |
[CH2:1]([O:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1B(O)O)[CH3:2].C(=O)([O-])[O-].[Na+].[Na+].[NH2:19][C:20]1[CH:25]=[C:24](Cl)[N:23]=[CH:22][N:21]=1>O1CCOCC1.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[CH2:1]([O:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[C:24]1[N:23]=[CH:22][N:21]=[C:20]([NH2:19])[CH:25]=1)[CH3:2] | 1 |
C(C)(C)[C@@H]1NC(OC1)=O.COC=1C=C(C=C(C1)OC)CC(=O)Cl>>COC=1C=C(C=C(C1)OC)CC(=O)N1C(OC[C@@H]1C(C)C)=O | 5 |
C1(=CC=CC=C1)SSC1=CC=CC=C1.BrC=1SC2=C(N1)C=C(N2)C(=O)N>>C1(=CC=CC=C1)SC=1SC2=C(N1)C(=C(N2)C(=O)N)SC2=CC=CC=C2 | 5 |
ClC(O[C:5]1[CH:10]=[CH:9][CH:8]=[CH:7][CH:6]=1)=O.[NH2:11][C:12]1[S:13][C:14]2[CH:20]=[C:19]([Br:21])[CH:18]=[CH:17][C:15]=2[N:16]=1.[CH2:22]([N:24]([CH2:27][CH3:28])[CH2:25][CH3:26])C.[OH2:29].[C:30](#[N:32])C>CC(N(C)C)=O>[Br:21][C:19]1[CH:18]=[CH:17][C:15]2[N:16]=[C:12]([NH:11][C:22]([N:24]3[CH2:27][CH2:28][C:5](=[CH:10][C:9]4[CH:8]=[CH:7][CH:6]=[CH:30][N:32]=4)[CH2:26][CH2:25]3)=[O:29])[S:13][C:14]=2[CH:20]=1 | 1 |
FC=1C=C(C(=O)O)C=C(C1)C>S(O)(O)(=O)=O.[N+](=O)([O-])[O-].[K+]>FC=1C=C(C(=C(C(=O)O)C1)[N+](=O)[O-])C | 3 |
[Cl:1][C:2]1[CH:7]=[C:6]([NH2:8])[CH:5]=[C:4]([Cl:9])[N:3]=1.[N+:10]([O-])([OH:12])=[O:11]>OS(O)(=O)=O>[Cl:1][C:2]1[C:7]([N+:10]([O-:12])=[O:11])=[C:6]([NH2:8])[CH:5]=[C:4]([Cl:9])[N:3]=1 | 1 |
COP(OC)(=O)CC(CCCCC1=NC(=CC=C1)NCC1=CC=C(C=C1)OC)=O.N1=C(C=NC2=CC=CC=C12)C=O>>COC1=CC=C(CNC2=CC=CC(=N2)CCCCC(C=CC2=NC3=CC=CC=C3N=C2)=O)C=C1 | 5 |
C(C)(C)(C)OC(=O)N1CCC(CC1)C1=CC=C(C=2N=C(SC21)NC(=O)C2=CC(=NC=C2)C)OC>Cl>Cl.COC1=CC=C(C2=C1N=C(S2)NC(C2=CC(=NC=C2)C)=O)C2CCNCC2 | 3 |
ClC1=NC=C(C(=N1)C(F)(F)F)C(=O)OCC.C(C)(C)[C@@H]1C=2N(CCN1)C1=C(N2)C=C(C(=C1)S(=O)(=O)C)C(=O)OC>ClCCl.C(C)(C)N(C(C)C)CC.CC(C)O>C(C)OC(=O)C=1C(=NC(=NC1)N1[C@@H](C=2N(CC1)C1=C(N2)C=C(C(=C1)S(=O)(=O)C)C(=O)OC)C(C)C)C(F)(F)F | 3 |
C(#N)C[C@@H]1CN(CCO[C@H]1C1=CC(=C(C=C1)Cl)Cl)C(=O)OC(C)(C)C>>NC(C[C@@H]1CN(CCO[C@H]1C1=CC(=C(C=C1)Cl)Cl)C(=O)OC(C)(C)C)=NO | 5 |
ClC1=CC=C(C=C1)OC(=O)N1CCCC2=CC(=CC=C12)OCC=CCBr>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>ClC1=CC=C(C=C1)OC(=O)N1CCCC2=CC=CC=C12 | 3 |
C1(CCC1)C(=O)C1=CC=CC=C1>C1(=CC=CC=C1)C.c3c(P(c1ccccc1)c2ccccc2)cccc3.C(Br)(Br)(Br)Br>BrC(=C(C1CCC1)C1=CC=CC=C1)Br | 3 |
CI.BrC1=NN(C(=C1C(=O)OCC)N1C[C@H](CC1)O)C>N(C)(C)C=O.[H-].[Na+]>BrC1=NN(C(=C1C(=O)OCC)N1C[C@H](CC1)OC)C | 3 |
FC1=CC=C(N)C=C1.ClC1=NC(=C(C=C1C(=O)O)F)Cl>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>ClC1=NC(=C(C(=O)O)C=C1F)NC1=CC=C(C=C1)F | 3 |
[F:1][C:2]1[CH:34]=[CH:33][C:5]([CH2:6][NH:7][C:8]([C:10]2[N:15]=[C:14]([CH3:16])[N:13]=[C:12]([C:17]3[CH2:21][CH:20]([C:22]4[CH:23]=[CH:24][C:25](=[O:32])[N:26]([CH2:28][C:29]([OH:31])=O)[CH:27]=4)[O:19][N:18]=3)[CH:11]=2)=[O:9])=[CH:4][C:3]=1[O:35][CH3:36].[CH:37]1([NH2:40])[CH2:39][CH2:38]1.CCN=C=NCCCN(C)C.Cl.C1C=CC2N(O)N=NC=2C=1.CCN(C(C)C)C(C)C>CN(C=O)C>[CH:37]1([NH:40][C:29](=[O:31])[CH2:28][N:26]2[C:25](=[O:32])[CH:24]=[CH:23][C:22]([CH:20]3[O:19][N:18]=[C:17]([C:12]4[N:13]=[C:14]([CH3:16])[N:15]=[C:10]([C:8]([NH:7][CH2:6][C:5]5[CH:33]=[CH:34][C:2]([F:1])=[C:3]([O:35][CH3:36])[CH:4]=5)=[O:9])[CH:11]=4)[CH2:21]3)=[CH:27]2)[CH2:39][CH2:38]1 | 1 |
COC(C1=C(C=CC=C1)NC1=CC=C2C(=NN(C2=C1)C1OCCCC1)C=CC1=NC(=CC(=C1)C)C)=O>O.C1CCCO1.[OH-].[K+]>CC1=CC(=NC(=C1)C)C=CC1=NN(C2=CC(=CC=C12)NC1=C(C(=O)O)C=CC=C1)C1OCCCC1 | 3 |
[Mg].Br[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][C:4]=1[O:9][CH2:10][CH3:11].COB(OC)OC.Br[C:20]1[CH:21]=[CH:22][C:23]([F:28])=[C:24]([CH:27]=1)[CH:25]=[O:26].C(=O)([O-])[O-].[K+].[K+].Cl>O1CCCC1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>[CH2:10]([O:9][C:4]1[CH:5]=[CH:6][C:7]([C:20]2[CH:21]=[CH:22][C:23]([F:28])=[C:24]([CH:27]=2)[CH:25]=[O:26])=[CH:8][CH:3]=1)[CH3:11] | 1 |
BrC1=C(N=NC(=C1)Cl)N.CC1(OB(OC1(C)C)C1=CC=C(CN2CCN(CC2)C(=O)OC(C)(C)C)C=C1)C>ClCCl.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+].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]>NC=1N=NC(=CC1C1=CC=C(C=C1)CN1CCN(CC1)C(=O)OC(C)(C)C)Cl | 3 |
C(ON[C:10]([C@H:12]1[C@@H:17]([OH:18])[C@H:16]([OH:19])[C@@H:15]([OH:20])[CH2:14][N:13]1[S:21]([C:24]1[CH:29]=[CH:28][C:27]([O:30][C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)=[CH:26][CH:25]=1)(=[O:23])=[O:22])=[O:11])C1C=CC=CC=1.C[OH:38]>[Pd]>[OH:18][C@H:17]1[C@H:16]([OH:19])[C@H:15]([OH:20])[CH2:14][N:13]([S:21]([C:24]2[CH:25]=[CH:26][C:27]([O:30][C:31]3[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=3)=[CH:28][CH:29]=2)(=[O:22])=[O:23])[C@H:12]1[C:10]([OH:11])=[O:38] | 1 |
C[C@]12C[C@H]3CC[C@@H]4CC(CC[C@]4([C@@H]3C[C@@H]1CCC2=O)C)=O>>C[C@]12C[C@H]3CC[C@@H]4C[C@H](CC[C@]4([C@@H]3C[C@@H]1CCC2=O)C)O | 5 |
[C:1]([O:5][C:6]([NH:8][CH:9]1[CH2:14][CH2:13][N:12]([C:15]([N:17]2[CH2:22][CH:21]([C:23]3[CH:28]=[CH:27][C:26]([O:29][C:30]([F:33])([F:32])[F:31])=[CH:25][CH:24]=3)[CH2:20][CH:19]([C:34](O)=[O:35])[CH2:18]2)=[O:16])[CH2:11][CH2:10]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].O[N:38]=[C:39]([NH2:44])[CH2:40][CH2:41][O:42][CH3:43]>>[C:1]([O:5][C:6](=[O:7])[NH:8][CH:9]1[CH2:10][CH2:11][N:12]([C:15]([N:17]2[CH2:22][CH:21]([C:23]3[CH:28]=[CH:27][C:26]([O:29][C:30]([F:33])([F:31])[F:32])=[CH:25][CH:24]=3)[CH2:20][CH:19]([C:34]3[O:35][N:44]=[C:39]([CH2:40][CH2:41][O:42][CH3:43])[N:38]=3)[CH2:18]2)=[O:16])[CH2:13][CH2:14]1)([CH3:4])([CH3:3])[CH3:2] | 2 |
NC1=C(C#N)C=CC=C1.C1(CCCCC1)S(=O)(=O)Cl>>N1N=NN=C1C1=C(C=CC=C1)NS(=O)(=O)C1CCCCC1 | 5 |
CI.FC1=C(C=C2C(N(C(N2)=O)C2=C(C=CC(=C2)F)F)=O)C=CC=C1>N(C)(C)C=O.O.C(=O)([O-])[O-].[Cs+].[Cs+]>FC1=C(C=C2C(N(C(N2C)=O)C2=C(C=CC(=C2)F)F)=O)C=CC=C1 | 3 |
Cl[C:2]1[N:7]=[CH:6][N:5]=[C:4]([O:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=2/[C:15](=[CH:20]\[O:21][CH3:22])/[C:16]([O:18][CH3:19])=[O:17])[CH:3]=1.[C:23](=[O:26])([O-])[O-].[K+].[K+].C1N2[CH2:35][CH2:36][N:31](CC2)C1>CN(C=O)C>[C:36]([C:35]1[CH:11]=[CH:10][CH:9]=[CH:14][C:23]=1[O:26][C:2]1[N:7]=[CH:6][N:5]=[C:4]([O:8][C:9]2[CH:14]=[CH:13][CH:12]=[CH:11][C:10]=2/[C:15](=[CH:20]\[O:21][CH3:22])/[C:16]([O:18][CH3:19])=[O:17])[CH:3]=1)#[N:31] | 1 |
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([C:8]([CH2:10]Cl)=[CH2:9])[N:3]=1.[I-:12].[K+].CC(C)=O.CN(C)C=O>O>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([C:8]([CH2:10][I:12])=[CH2:9])[N:3]=1 | 1 |
[C:1]1(=[O:11])[O:6][C:4](=O)[C:3]2[CH2:7][CH2:8][CH2:9][CH2:10][C:2]1=2.[NH2:12][C:13]1[CH:14]=[CH:15][C:16]([O:19][CH2:20][CH2:21][C:22]2[CH:27]=[CH:26][C:25]([Cl:28])=[CH:24][CH:23]=2)=[N:17][CH:18]=1>C(O)(=O)C>[Cl:28][C:25]1[CH:26]=[CH:27][C:22]([CH2:21][CH2:20][O:19][C:16]2[CH:15]=[CH:14][C:13]([N:12]3[C:1](=[O:11])[C:2]4[CH2:10][CH2:9][CH2:8][CH2:7][C:3]=4[C:4]3=[O:6])=[CH:18][N:17]=2)=[CH:23][CH:24]=1 | 1 |
[O-]CC.[Na+].Cl.[NH2:6][OH:7].C(O)C.[S:11]1[CH:15]=[CH:14][CH:13]=[C:12]1[C:16]#[N:17]>C1CCCCC1.CCCCC>[OH:7][NH:6][C:16]([C:12]1[S:11][CH:15]=[CH:14][CH:13]=1)=[NH:17] | 1 |
[CH:1]([C:4]1[N:5]=[C:6]([C:9]2[NH:10][C:11]3[C:16]([C:17](=[O:19])[CH:18]=2)=[CH:15][CH:14]=[C:13]([O:20][CH3:21])[C:12]=3[CH3:22])[S:7][CH:8]=1)([CH3:3])[CH3:2].[CH2:23]([N:29]([CH3:42])[C:30]([C@@H:32]1[CH2:36][C@@H:35](O)[CH2:34][C@H:33]1[C:38]([O:40][CH3:41])=[O:39])=[O:31])[CH2:24][CH2:25][CH2:26][CH:27]=[CH2:28].C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.N(C(OC(C)C)=O)=NC(OC(C)C)=O>C1(C)C=CC=CC=1>[CH2:23]([N:29]([CH3:42])[C:30]([C@@H:32]1[CH2:36][C@H:35]([O:19][C:17]2[C:16]3[C:11](=[C:12]([CH3:22])[C:13]([O:20][CH3:21])=[CH:14][CH:15]=3)[N:10]=[C:9]([C:6]3[S:7][CH:8]=[C:4]([CH:1]([CH3:3])[CH3:2])[N:5]=3)[CH:18]=2)[CH2:34][C@H:33]1[C:38]([O:40][CH3:41])=[O:39])=[O:31])[CH2:24][CH2:25][CH2:26][CH:27]=[CH2:28] | 2 |
CC1(N(C2=CC=CC=C2C(C1)N1C(N(C2=NC(=NC=C2C1)SC)C)=O)C(C(F)(F)F)=O)C>ClCCl.ClC=1C=C(C(=O)OO)C=CC1>CC1(N(C2=CC=CC=C2C(C1)N1C(N(C2=NC(=NC=C2C1)S(=O)(=O)C)C)=O)C(C(F)(F)F)=O)C | 3 |
[CH:1]1[C:13]2[CH2:12][C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH:4]=[CH:3][C:2]=1[NH:14][C:15](=S)[CH:16]([CH3:18])[CH3:17].[C:20]([NH:28][NH2:29])(=O)[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1>C(O)CCC>[CH:1]1[C:13]2[CH2:12][C:11]3[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=3)[C:5]=2[CH:4]=[CH:3][C:2]=1[N:14]1[C:15]([CH:16]([CH3:18])[CH3:17])=[N:29][N:28]=[C:20]1[C:21]1[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=1 | 1 |
C[Si](C)(C)C=[N+]=[N-].NC1=CC(=C(C(=O)O)C=C1OC)F>CO[H].ClCCl>NC1=CC(=C(C(=O)OC)C=C1OC)F | 3 |
Cl.C(C)OC(=N)C=1C=C2C(=NNC2=CC1)C1=CC=C(C=C1)F.C(C(C)C)(=O)NN>>FC1=CC=C(C=C1)C1=NNC2=CC=C(C=C12)C=1NC(=NN1)C(C)C | 5 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([CH:8]=[CH:9][CH2:10]O)=[CH:4][CH:3]=1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[Cl:31]N1C(=O)CCC1=O.O>C(Cl)Cl>[Cl:31][CH2:10][CH:9]=[CH:8][C:5]1[CH:6]=[CH:7][C:2]([CH3:1])=[CH:3][CH:4]=1 | 1 |
[N+](=O)([O-])C1=CC=C2C=C(NC2=C1)C(=O)O.COC=1C=CC(=C(C1)C1=CC(=CC=C1)N)C(F)(F)F>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>COC=1C=CC(=C(C1)C1=CC(=CC=C1)NC(=O)C=1NC2=CC(=CC=C2C1)[N+](=O)[O-])C(F)(F)F | 3 |
BrC1=NC(=CC=C1)C.BrC=1C(=C(SC1)C1=C(N=C2N1N=C(C=C2C(CC)CC)C)C)Cl>C1CCCO1.[Zn].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]>Cl.ClC1=C(SC=C1C1=NC(=CC=C1)C)C1=C(N=C2N1N=C(C=C2C(CC)CC)C)C | 3 |
[C:1]([C:3]1[CH:4]=[C:5]([NH:9][C:10]2[C:19]3[C:14](=[CH:15][C:16](F)=[C:17]([N+:20]([O-:22])=[O:21])[CH:18]=3)[N:13]=[CH:12][N:11]=2)[CH:6]=[CH:7][CH:8]=1)#[CH:2].[CH3:24][O:25][CH2:26][CH2:27][O-:28].[Na+].O>COCCO>[C:1]([C:3]1[CH:4]=[C:5]([NH:9][C:10]2[C:19]3[C:14](=[CH:15][C:16]([O:28][CH2:27][CH2:26][O:25][CH3:24])=[C:17]([N+:20]([O-:22])=[O:21])[CH:18]=3)[N:13]=[CH:12][N:11]=2)[CH:6]=[CH:7][CH:8]=1)#[CH:2] | 2 |
[CH3:1][C:2]1[S:3][C:4]2[C:5](=[C:7]([S:11](Cl)(=[O:13])=[O:12])[CH:8]=[CH:9][CH:10]=2)[N:6]=1.[NH3:15]>O1CCCC1>[CH3:1][C:2]1[S:3][C:4]2[C:5](=[C:7]([S:11]([NH2:15])(=[O:13])=[O:12])[CH:8]=[CH:9][CH:10]=2)[N:6]=1 | 1 |
C([O:8][NH:9][C:10]([C@H:12]([C@@H:24]([CH2:33][CH:34]1[CH2:38][CH2:37][CH2:36][CH2:35]1)[C:25]([N:27]1[CH2:32][CH2:31][CH2:30][CH2:29][CH2:28]1)=[O:26])[CH2:13][N:14]1[C:18](=[O:19])[C:17]([CH3:21])([CH3:20])[N:16]([CH3:22])[C:15]1=[O:23])=[O:11])C1C=CC=CC=1>C(O)C.[Pd]>[CH:34]1([CH2:33][C@H:24]([C@@H:12]([C:10](=[O:11])[NH:9][OH:8])[CH2:13][N:14]2[C:18](=[O:19])[C:17]([CH3:21])([CH3:20])[N:16]([CH3:22])[C:15]2=[O:23])[C:25]([N:27]2[CH2:32][CH2:31][CH2:30][CH2:29][CH2:28]2)=[O:26])[CH2:38][CH2:37][CH2:36][CH2:35]1 | 1 |
C(C)OC(=O)C1=CC=C(C=C1)B(O)O.C1(=CC=CC=C1)S(=O)(=O)N1N=CC2=CC3=C(C=C12)C(=C(N3C3=CC=C(C=C3)F)C3CCOCC3)I>O.ClCCl.O(C(C)(C)C)C.C(C)(=O)OCC.O1CCOCC1.C([O-])([O-])=O.[Na+].[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]>C1(=CC=CC=C1)S(=O)(=O)N1N=CC2=CC3=C(C=C12)C(=C(N3C3=CC=C(C=C3)F)C3CCOCC3)C3=CC=C(C(=O)OCC)C=C3 | 3 |
[F:1][C:2]1[CH:3]=[C:4]([C:9]2[C:10](=[O:23])[N:11]([CH3:22])[C:12]([O:15][C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)=[N:13][CH:14]=2)[CH:5]=[CH:6][C:7]=1[OH:8].Cl[C:25]1[C:34]2[C:29](=[CH:30][C:31]([O:37][CH2:38][CH2:39][CH2:40][N:41]3[CH2:46][CH2:45][O:44][CH2:43][CH2:42]3)=[C:32]([O:35][CH3:36])[CH:33]=2)[N:28]=[CH:27][CH:26]=1>CN(C1C=CN=CC=1)C>[F:1][C:2]1[CH:3]=[C:4]([C:9]2[C:10](=[O:23])[N:11]([CH3:22])[C:12]([O:15][C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)=[N:13][CH:14]=2)[CH:5]=[CH:6][C:7]=1[O:8][C:25]1[C:34]2[C:29](=[CH:30][C:31]([O:37][CH2:38][CH2:39][CH2:40][N:41]3[CH2:42][CH2:43][O:44][CH2:45][CH2:46]3)=[C:32]([O:35][CH3:36])[CH:33]=2)[N:28]=[CH:27][CH:26]=1 | 2 |
C(OC([NH:8][CH2:9][C:10]([N:12]1[CH2:21][CH2:20][C:19]2[C:14](=[CH:15][CH:16]=[CH:17][C:18]=2[I:22])[CH:13]1[CH2:23][C:24]([O-:26])=O)=[O:11])=O)(C)(C)C.[Na+].C(OC(NCC(N1CCC2C(=CC=CC=2I)C1CC(OCC)=O)=O)=O)(C)(C)C.[OH-].[Na+]>CCO>[I:22][C:18]1[CH:17]=[CH:16][CH:15]=[C:14]2[C:19]=1[CH2:20][CH2:21][N:12]1[C:10](=[O:11])[CH2:9][NH:8][C:24](=[O:26])[CH:23]=[C:13]12 | 1 |
CN.O1CC(=CC2=CC=C(C=C12)O)C1=CC=C(C=C1)O>>CN1COC2=C(C1)C=C1C=C(COC1=C2)C2=CC=C(C=C2)O | 5 |
[CH2:1]([C:3]1[CH:4]=[CH:5][C:6]([CH2:9][CH2:10][OH:11])=[N:7][CH:8]=1)[CH3:2].F[C:13]1[CH:18]=[CH:17][C:16]([N+:19]([O-:21])=[O:20])=[CH:15][CH:14]=1.[H-].[Na+].O>CN(C=O)C>[CH2:1]([C:3]1[CH:4]=[CH:5][C:6]([CH2:9][CH2:10][O:11][C:13]2[CH:18]=[CH:17][C:16]([N+:19]([O-:21])=[O:20])=[CH:15][CH:14]=2)=[N:7][CH:8]=1)[CH3:2] | 1 |
FC1=C(C=CC=C1)S(=O)(=O)NC1=C(C=2C(CCCC2C=C1)C)C(=O)OC.FC(C1=NC(=NC=C1)N1CCN(CC1)CCCN)(F)F>CN1C(CCC1)=O.P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>FC(C1=NC(=NC=C1)N1CCN(CC1)CCCNC1=C(C=CC=C1)S(=O)(=O)NC1=C(C=2CCCCC2C=C1)C(=O)O)(F)F | 3 |
CS(=O)(=O)OC1CN(C1)C=1SC=C(N1)C(=O)N1CC(C1)OC>N(C)(C)C=O.C(C)(=S)[O-].[K+]>C(C)(=O)SC1CN(C1)C=1SC=C(N1)C(=O)N1CC(C1)OC | 3 |
[CH3:1][O:2][C:3](=[O:23])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([CH2:10][N:11]2[CH:20]=[CH:19][C:18]3[C:13](=[N:14][C:15](Br)=[CH:16][CH:17]=3)[C:12]2=[O:22])[CH:5]=1.[C:24]1([CH2:30][C:31]#[CH:32])[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=1.C(N(CC)CC)C>CN(C)C=O.[Cu]I.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[CH3:1][O:2][C:3](=[O:23])[C:4]1[CH:9]=[CH:8][CH:7]=[C:6]([CH2:10][N:11]2[CH:20]=[CH:19][C:18]3[C:13](=[N:14][C:15]([C:32]#[C:31][CH2:30][C:24]4[CH:29]=[CH:28][CH:27]=[CH:26][CH:25]=4)=[CH:16][CH:17]=3)[C:12]2=[O:22])[CH:5]=1 | 2 |
C(C1=CC=CC=C1)OC1=NC=C(C=C1)CC(=NO)Cl.C(#C)C=1C(=NC=CC1)N>>C(C1=CC=CC=C1)OC1=CC=C(C=N1)CC1=NOC(=C1)C=1C(=NC=CC1)N | 5 |
C(C1=CC=CC=C1)O>[O].CCCCCCC>C(C1=CC=CC=C1)(=O)OCC1=CC=CC=C1 | 3 |
[N+:1]([C:4]1[CH:12]=[C:11]2[C:7]([CH:8]=[N:9][NH:10]2)=[CH:6][CH:5]=1)([O-:3])=[O:2].CS(O[CH:18]1[CH2:23][CH2:22][N:21]([C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[CH2:20][CH2:19]1)(=O)=O.C(=O)([O-])[O-].[K+].[K+]>CN(C)C=O.C(OCC)(=O)C>[N+:1]([C:4]1[CH:12]=[C:11]2[C:7]([CH:8]=[N:9][N:10]2[CH:18]2[CH2:23][CH2:22][N:21]([C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[CH2:20][CH2:19]2)=[CH:6][CH:5]=1)([O-:3])=[O:2] | 1 |
Cl.NC(C1=C(C=C(C#N)C=C1)Cl)C1=C(CCC1=O)NC1=CC(=CC=C1)C(F)(F)F>CC#N.ClCCl.CCN(CC)CC.C(=O)(C=1NC=CN1)C=1NC=CN1>ClC=1C=C(C#N)C=CC1C1C2=C(N(C(N1)=O)C1=CC(=CC=C1)C(F)(F)F)CCC2=O | 3 |
[NH2:1][CH2:2][CH2:3][C:4]1[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([C:13]([CH3:24])([CH3:23])[C:14]([N:16]3[CH:20]4[CH2:21][CH2:22][CH:17]3[CH2:18][CH2:19]4)=[O:15])[CH:11]=2)[NH:6][C:5]=1[C:25]1[CH:30]=[C:29]([CH3:31])[CH:28]=[C:27]([CH3:32])[CH:26]=1.[N:33]1[CH:38]=[CH:37][CH:36]=[C:35]([C:39]2[CH:46]=[CH:45][C:42]([CH:43]=O)=[CH:41][CH:40]=2)[CH:34]=1.C([BH3-])#N.[Na+]>CC(C)[O-].[Ti+4].CC(C)[O-].CC(C)[O-].CC(C)[O-].C(O)(=O)C>[CH:17]12[N:16]([C:14](=[O:15])[C:13]([C:10]3[CH:11]=[C:12]4[C:7](=[CH:8][CH:9]=3)[NH:6][C:5]([C:25]3[CH:30]=[C:29]([CH3:31])[CH:28]=[C:27]([CH3:32])[CH:26]=3)=[C:4]4[CH2:3][CH2:2][NH:1][CH2:43][C:42]3[CH:41]=[CH:40][C:39]([C:35]4[CH:34]=[N:33][CH:38]=[CH:37][CH:36]=4)=[CH:46][CH:45]=3)([CH3:24])[CH3:23])[CH:20]([CH2:19][CH2:18]1)[CH2:21][CH2:22]2 | 1 |
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[C:3]([C:10]([OH:12])=[O:11])=[N:2]1.[Cl:13][C:14]1[CH:19]=[C:18](Cl)[N:17]=[CH:16][N:15]=1>>[Cl:13][C:14]1[N:15]=[CH:16][N:17]=[C:18]([N:1]2[C:9]3[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=3)[C:3]([C:10]([OH:12])=[O:11])=[N:2]2)[CH:19]=1 | 2 |
ClC1=C(C#N)C=CC(=N1)C.ClC=1C=C(C=CC1)/C=C/C=C1CCNCC1>>ClC=1C=C(C=CC1)/C=C/C=C1CCN(CC1)C1=NC(=CC=C1C#N)C | 5 |
[CH3:1][C:2]1[CH:3]=[C:4]2[C:10]3([CH2:15][CH2:14][NH:13][CH2:12][CH2:11]3)[C:9](=[O:16])[NH:8][C:5]2=[CH:6][CH:7]=1.[H-].[Na+].Br[CH2:20][CH2:21][O:22][CH:23]1[CH2:28][CH2:27][CH2:26][CH2:25][O:24]1>CN(C)C=O>[O:24]1[CH2:25][CH2:26][CH2:27][CH2:28][CH:23]1[O:22][CH2:21][CH2:20][N:8]1[C:5]2[C:4](=[CH:3][C:2]([CH3:1])=[CH:7][CH:6]=2)[C:10]2([CH2:15][CH2:14][NH:13][CH2:12][CH2:11]2)[C:9]1=[O:16] | 1 |
C(N(C(C)C)C(C)C)C.Cl[C:11]([O:13][C:14]1[CH:19]=[CH:18][C:17]([CH2:20][C:21]2[CH:26]=[CH:25][C:24]([C:27]([F:30])([F:29])[F:28])=[CH:23][CH:22]=2)=[CH:16][CH:15]=1)=[O:12].[N:31]1[CH:36]=[CH:35][CH:34]=[CH:33][C:32]=1[N:37]1[CH2:42][CH2:41][NH:40][CH2:39][CH2:38]1.Cl>ClCCl.C(OCC)C.O>[F:28][C:27]([F:30])([F:29])[C:24]1[CH:25]=[CH:26][C:21]([CH2:20][C:17]2[CH:18]=[CH:19][C:14]([O:13][C:11]([N:40]3[CH2:41][CH2:42][N:37]([C:32]4[CH:33]=[CH:34][CH:35]=[CH:36][N:31]=4)[CH2:38][CH2:39]3)=[O:12])=[CH:15][CH:16]=2)=[CH:22][CH:23]=1 | 2 |
CI.ClC1=CC=CC(=N1)C1(COCC1)O>C1CCCO1.[H-].[Na+].[Cl-].[NH4+]>ClC1=NC(=CC=C1)C1(COCC1)OC | 3 |
C=CC(C=C)O.FCC(CF)N>ClCCCl.I(=O)(=O)C1=C(C(=O)O)C=CC=C1>FCC(CF)N1CCC(CC1)=O | 3 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(C1=CC=CC=C1)N1CC(OCC1)CO>>C(C)(C)(C)OC(=O)N1CC(OCC1)CO | 5 |
[CH3:1][S:2](Cl)(=[O:4])=[O:3].[NH2:6][CH2:7][C:8]1[CH:9]=[C:10]2[C:14](=[CH:15][CH:16]=1)[NH:13][CH:12]=[C:11]2[CH2:17][CH2:18][N:19]1[C:27](=[O:28])[C:26]2[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=2)[C:20]1=[O:29].O.[Cl-].[Na+]>N1C=CC=CC=1.Cl>[O:29]=[C:20]1[C:21]2[C:26](=[CH:25][CH:24]=[CH:23][CH:22]=2)[C:27](=[O:28])[N:19]1[CH2:18][CH2:17][C:11]1[C:10]2[C:14](=[CH:15][CH:16]=[C:8]([CH2:7][NH:6][S:2]([CH3:1])(=[O:4])=[O:3])[CH:9]=2)[NH:13][CH:12]=1 | 1 |
ClC1C=CC=C(C(OO)=[O:9])C=1.[CH3:12][C:13]1[CH:22]=[C:21]2[C:16]([CH:17]=[CH:18][CH:19]=[N:20]2)=[CH:15][CH:14]=1>C(OCC)(=O)C>[CH3:12][C:13]1[CH:22]=[C:21]2[C:16]([CH:17]=[CH:18][CH:19]=[N+:20]2[O-:9])=[CH:15][CH:14]=1 | 2 |
C(C)(C)(C)OC(=O)N1[C@H](CN([C@@H](C1)C)C(=O)OC(C)(C)C)CO>>C(C)(C)(C)OC(=O)N1[C@H](CN([C@@H](C1)C)C(=O)OC(C)(C)C)C=O | 5 |
CN=C=S.NC1=C(N(C(=C1C#N)N1C[C@@H](CCC1)NC(=O)OC(C)(C)C)CC1=C(C=CC=C1)Cl)C(=O)OCC>>ClC1=C(CN2C(=C(C=3N=C(N(C(C32)=O)C)SC)C#N)N3C[C@@H](CCC3)NC(OC(C)(C)C)=O)C=CC=C1 | 5 |
[N+:1]([O-:4])(O)=[O:2].S(=O)(=O)(O)O.[Cl:10][C:11]1[CH:16]=[CH:15][C:14]([N:17]2[C:22](=[O:23])[CH:21]=[C:20]([C:24]([F:27])([F:26])[F:25])[NH:19][C:18]2=[O:28])=[C:13]([F:29])[CH:12]=1>>[Cl:10][C:11]1[C:16]([N+:1]([O-:4])=[O:2])=[CH:15][C:14]([N:17]2[C:22](=[O:23])[CH:21]=[C:20]([C:24]([F:27])([F:25])[F:26])[NH:19][C:18]2=[O:28])=[C:13]([F:29])[CH:12]=1 | 1 |
[CH2:1]([OH:8])[C@@H:2]([C@@H:4]([CH2:6][OH:7])[OH:5])[OH:3].[CH2:9]([OH:31])[C@H:10]1[O:15][C@@H:14]([O:16][C@@H:17]([C@H:22]([OH:27])[C@@H:23]([OH:26])[CH2:24][OH:25])[C@H:18]([OH:21])[CH2:19][OH:20])[C@H:13]([OH:28])[C@@H:12]([OH:29])[C@H:11]1[OH:30].O>C(O)[C@H]1O[C@@H](O[C@@H]([C@H](O)[C@@H](O)CO)[C@H](O)CO)[C@H](O)[C@@H](O)[C@H]1O.O>[CH2:1]([OH:8])[C@@H:2]([C@@H:4]([CH2:6][OH:7])[OH:5])[OH:3].[CH2:9]([OH:31])[C@H:10]1[O:15][C@@H:14]([O:16][C@H:17]2[C@H:22]([OH:27])[C@@:23]([OH:26])([CH2:24][OH:25])[O:21][C@@H:18]2[CH2:19][OH:20])[C@H:13]([OH:28])[C@@H:12]([OH:29])[C@H:11]1[OH:30] | 2 |
Br[C:2]1[C:7]([O:8][CH3:9])=[CH:6][C:5]2[O:10][CH2:11][C:12]3[C:16]([C:17]([O:19][CH2:20][CH3:21])=[O:18])=[N:15][N:14]([C:22]4[CH:26]=[CH:25][S:24][CH:23]=4)[C:13]=3[C:4]=2[CH:3]=1.[O-]P(OP(OP([O-])([O-])=O)([O-])=O)(=O)[O-].[K+].[K+].[K+].[K+].[K+]>C1COCC1.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[CH2:20]([O:19][C:17]([C:16]1[C:12]2[CH2:11][O:10][C:5]3[CH:6]=[C:7]([O:8][CH3:9])[C:2]([CH:3]=[C:4]([CH3:13])[CH3:5])=[CH:3][C:4]=3[C:13]=2[N:14]([C:22]2[CH:26]=[CH:25][S:24][CH:23]=2)[N:15]=1)=[O:18])[CH3:21] | 2 |
C(C)OC(=O)C1=CNC2=CC=C(C=C2C1=O)Cl>N(C)(C)C=O.O.ClCCl.C([O-])([O-])=O.[K+].[K+].C(C(=O)Cl)(=O)Cl>ClC1=C(C=NC2=CC=C(C=C12)Cl)C(=O)OCC | 3 |
BrC1=CC=C2C(=N1)C(CC2)=O>C1CCCO1.[Cl-].[NH4+].C(C)(C)[Mg]Cl>BrC1=CC=C2C(=N1)C(CC2)(O)C(=C)C | 3 |
C(C)(C)(C)[Si](C)(C)Cl.C(C)OC(=O)\C=C\1/CN(CCC1O)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>N(C)(C)C=O.C1(=CC=NC=C1)N(C)C.c1cnc[nH]1>[Si](C)(C)(C(C)(C)C)OC1/C(/CN(CC1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=C/C(=O)OCC | 3 |
[C-]#N.[Na+].O1CCC(CC1)(C(=O)OCC)C(=O)OCC>N(C)(C)C=O.[I-].[Li+]>O1CCC(CC1)C(=O)OCC | 3 |
COC[O:4][C:5]1[CH:10]=[CH:9][C:8]([N:11]2[C:14]([CH3:16])([CH3:15])[C:13](=[O:17])[N:12]2[CH:18]2[CH:25]3[CH2:26][CH:21]4[CH2:22][CH:23]([CH2:27][CH:19]2[CH2:20]4)[CH2:24]3)=[CH:7][CH:6]=1.Cl.[Cl-].[NH4+]>CO>[CH3:15][C:14]1([CH3:16])[N:11]([C:8]2[CH:9]=[CH:10][C:5]([OH:4])=[CH:6][CH:7]=2)[N:12]([CH:18]2[CH:19]3[CH2:27][CH:23]4[CH2:22][CH:21]([CH2:26][CH:25]2[CH2:24]4)[CH2:20]3)[C:13]1=[O:17] | 1 |
C[O:2][C:3]1[C:4]([CH3:39])=[C:5]([C:30]([O:37]C)=[C:31]([O:35][CH3:36])[C:32]=1[O:33][CH3:34])[CH2:6][C:7]1[CH:8]=[CH:9][C:10]([O:21][CH2:22][C:23]([O:25][C:26]([CH3:29])([CH3:28])[CH3:27])=[O:24])=[C:11]([CH:20]=1)[C:12]([N:14]1[CH2:19][CH2:18][CH2:17][CH2:16][CH2:15]1)=[O:13].O=[N+]([O-])[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[O-][N+](=O)[O-].[Ce+4].[NH4+].[NH4+]>C(#N)C.O>[CH3:34][O:33][C:32]1[C:3](=[O:2])[C:4]([CH3:39])=[C:5]([CH2:6][C:7]2[CH:8]=[CH:9][C:10]([O:21][CH2:22][C:23]([O:25][C:26]([CH3:28])([CH3:27])[CH3:29])=[O:24])=[C:11]([CH:20]=2)[C:12]([N:14]2[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19]2)=[O:13])[C:30](=[O:37])[C:31]=1[O:35][CH3:36] | 1 |
[F:1][C:2]1[C:7]2[C:8]([C:18](=[O:21])[NH:19][CH3:20])=[C:9]([C:11]3[CH:16]=[CH:15][C:14]([F:17])=[CH:13][CH:12]=3)[O:10][C:6]=2[CH:5]=[CH:4][C:3]=1[C:22]1[C:23]([CH3:33])=[CH:24][C:25]([O:31][CH3:32])=[C:26]([CH:30]=1)[C:27](O)=[O:28].[CH3:34][C:35]1[CH:36]=[N:37][C:38]([C:41]2([NH2:44])[CH2:43][CH2:42]2)=[N:39][CH:40]=1.C(N(CC)CC)C>CN(C=O)C>[F:1][C:2]1[C:7]2[C:8]([C:18]([NH:19][CH3:20])=[O:21])=[C:9]([C:11]3[CH:12]=[CH:13][C:14]([F:17])=[CH:15][CH:16]=3)[O:10][C:6]=2[CH:5]=[CH:4][C:3]=1[C:22]1[CH:30]=[C:26]([C:27](=[O:28])[NH:44][C:41]2([C:38]3[N:37]=[CH:36][C:35]([CH3:34])=[CH:40][N:39]=3)[CH2:42][CH2:43]2)[C:25]([O:31][CH3:32])=[CH:24][C:23]=1[CH3:33] | 1 |
COC=1C(=CC=CC1)N.ClC1N=CC=C(N1Cl)[N+](=O)[O-]>C1CCCO1.Cl.C(C)(C)N(C(C)C)CC>COC1=C(C=CC(=C1)C1CCNCC1)NC=1N=CC2=C(N1)N(N=N2)C2=C(C=CC=C2)OC | 3 |
C(O)(=O)C.[C:5](#[N:9])[CH2:6][C:7]#[N:8].[C:10]1(=O)[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]1>C1(C)C=CC=CC=1>[C:10]1(=[C:6]([C:5]#[N:9])[C:7]#[N:8])[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]1 | 1 |
OC1=CC=NC=C1.ClC1=CC(=C(N)C=C1Cl)[N+](=O)[O-]>CS(=O)C.[OH-].[K+]>ClC1=C(C=C(N)C(=C1)[N+](=O)[O-])N1C=CC(C=C1)=O | 3 |
[OH:1][C@@H:2]([C@H:17]([OH:32])[C@H:18]([OH:31])[C@@H:19]([NH:22][C:23](=[O:30])[C@H:24]([CH2:26][CH:27]([CH3:29])[CH3:28])[NH2:25])[CH2:20][OH:21])[C:3]([NH:5][C@H:6]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[CH2:7][C:8]([OH:10])=[O:9])=[O:4].[OH-].[Na+].Cl[C:36]([O:38][CH2:39][C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1)=[O:37]>>[CH2:39]([O:38][C:36]([NH:25][C@H:24]([C:23]([NH:22][C@@H:19]([CH2:20][OH:21])[C@@H:18]([OH:31])[C@@H:17]([OH:32])[C@H:2]([OH:1])[C:3]([NH:5][C@H:6]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)[CH2:7][C:8]([OH:10])=[O:9])=[O:4])=[O:30])[CH2:26][CH:27]([CH3:28])[CH3:29])=[O:37])[C:40]1[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=1 | 1 |
FC1=NC(=CC=C1B(O)O)F.C(CCCC)[C@@H]1CC[C@H](CC1)C1=CC=C(C=C1)Br>C1(=CC=CC=C1)C.CCO[H].C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>FC1=NC(=CC=C1C1=CC=C(C=C1)[C@@H]1CC[C@H](CC1)CCCCC)F | 3 |
C(C)(C)(C)O[N+](=O)[O-].NC=1C(=NC(=C(N1)C#N)N)C#N>CC#N.O.C(Cl)(Cl)(Cl)[H].[Cu](Br)Br.CCCCCC>C(#N)C1=NC(=C(N=C1Br)C#N)Br | 3 |
O=S1(OC[C@@H](N1CC1=CC=CC=C1)C(C)C)=O>C1CCCO1.[F-].C(CCC)[N+](CCCC)(CCCC)CCCC>C(C1=CC=CC=C1)N[C@H](CF)C(C)C | 3 |
ClC1=C(C(=O)NC2=C(C=NC=C2F)F)C(=CC=C1)Cl>>ClC1=C(C(=NC2=C(C=NC=C2F)F)Cl)C(=CC=C1)Cl | 5 |
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