smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
ClC1=C(C(=O)O)C=C(C(=C1)Cl)S(=O)(=O)C.Cl.NCC1=CC=C(O1)C(=O)O>O.CCN(CC)CC.Cl.COCCOC.C(O)([O-])=O.[Na+]>C(=O)(O)C1=CC=C(CNC2=C(C(=O)O)C=C(C(=C2)Cl)S(=O)(=O)C)O1 | 3 |
[CH:1]([N:4]1[C:13]2[C:8](=[CH:9][C:10]([CH2:14][CH2:15][NH:16][C:17]3[CH:27]=[CH:26][C:20]([C:21]([O:23]CC)=[O:22])=[CH:19][CH:18]=3)=[CH:11][CH:12]=2)[C:7]([CH3:29])([CH3:28])[CH2:6][CH2:5]1)([CH3:3])[CH3:2].[OH-].[K+]>C(O)C>[CH:1]([N:4]1[C:13]2[C:8](=[CH:9][C:10]([CH2:14][CH2:15][NH:16][C:17]3[CH:18]=[CH:19][C:20]([C:21]([OH:23])=[O:22])=[CH:26][CH:27]=3)=[CH:11][CH:12]=2)[C:7]([CH3:29])([CH3:28])[CH2:6][CH2:5]1)([CH3:3])[CH3:2] | 1 |
BrC1=CC(=C(C=C1)C(C(=O)OC)(C(=O)OC)C)[N+](=O)[O-]>[Fe].C(C)(=O)O>BrC1=CC=C2C(C(NC2=C1)=O)(C(=O)OC)C | 3 |
[CH:1]1([C:7]#[CH:8])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.FC(F)(F)S(O[C:15]1[CH:16]=[N:17][C:18]2[C:23]([CH:24]=1)=[CH:22][C:21]([O:25][CH3:26])=[C:20]([O:27][CH3:28])[CH:19]=2)(=O)=O.[NH4+].[OH-]>C1COCC1.C(Cl)(Cl)Cl.[Cl-].[Cl-].[Zn+2].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>[CH:1]1([C:7]#[C:8][C:15]2[CH:16]=[N:17][C:18]3[C:23]([CH:24]=2)=[CH:22][C:21]([O:25][CH3:26])=[C:20]([O:27][CH3:28])[CH:19]=3)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
ClC1=NC(=NC=C1F)C1=NN(C(=C1)C(C)=O)CC1=C(C=CC=C1)F.CC1(C(CNC1)C(=O)O)C>CCN(CC)CC.O1CCOCC1>C(C)(=O)C1=CC(=NN1CC1=C(C=CC=C1)F)C1=NC=C(C(=N1)N1CC(C(C1)(C)C)C(=O)O)F | 3 |
[NH2:1][C:2]1[CH:16]=[CH:15][C:5]([C:6]([C:8]2[CH:13]=[CH:12][C:11]([NH2:14])=[CH:10][CH:9]=2)=[O:7])=[CH:4][CH:3]=1.[CH:17]1[CH:18]=[CH:19][C:20]2N(O)N=[N:23][C:21]=2[CH:22]=1.[N:27]1[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=1[C:33](O)=[O:34].CN([P+]([O:46]N1N=NC2C=CC=CC1=2)(N(C)C)N(C)C)C.F[P-](F)(F)(F)(F)F>CN(C=O)C>[N:27]1[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=1[C:33]([NH:1][C:2]1[CH:16]=[CH:15][C:5]([C:6]([C:8]2[CH:13]=[CH:12][C:11]([NH:14][C:22](=[O:46])[C:21]3[CH:20]=[CH:19][CH:18]=[CH:17][N:23]=3)=[CH:10][CH:9]=2)=[O:7])=[CH:4][CH:3]=1)=[O:34] | 1 |
C(C)(=O)Cl.C(C1=CC=CC=C1)OC=1C=C2C=CNC2=CC1>ClCCl.CC[Al](CC)Cl>C(C1=CC=CC=C1)OC=1C=C2C(=CNC2=CC1)C(C)=O | 3 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[CH:20]=[C:19]([N:21]3[C:33]4[CH:32]=[CH:31][CH:30]=[C:29]([C:34]5[CH:35]=[N:36][C:37]6[C:42]([CH:43]=5)=[CH:41][CH:40]=[CH:39][CH:38]=6)[C:28]=4[C:27]4[C:22]3=[CH:23][CH:24]=[CH:25][CH:26]=4)[CH:18]=[CH:17][C:16]=2[C:44]#[N:45])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[OH-:46].[Na+].OO>C(O)C.CS(C)=O>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH:11]([NH:14][C:15]2[CH:20]=[C:19]([N:21]3[C:33]4[CH:32]=[CH:31][CH:30]=[C:29]([C:34]5[CH:35]=[N:36][C:37]6[C:42]([CH:43]=5)=[CH:41][CH:40]=[CH:39][CH:38]=6)[C:28]=4[C:27]4[C:22]3=[CH:23][CH:24]=[CH:25][CH:26]=4)[CH:18]=[CH:17][C:16]=2[C:44](=[O:46])[NH2:45])[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 2 |
FC(S(=O)(=O)OC)(F)F.C1(=CC=CC=C1)N1C=NC(=C1)C#N>ClCCl>FC(S(=O)(=O)[O-])(F)F.C(#N)C=1[N+](=CN(C1)C1=CC=CC=C1)C | 3 |
[C:1]([N:8]([CH3:28])[CH:9]1[CH2:14][CH2:13][CH:12]([NH:15][CH2:16][C:17]2[CH:18]=[C:19](B(O)O)[CH:20]=[CH:21][C:22]=2[O:23][CH3:24])[CH2:11][CH2:10]1)([O:3][C:4]([CH3:7])([CH3:6])[CH3:5])=[O:2].Br[C:30]1[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=1[S:36][CH3:37].[Cl:38][C:39]1[C:40]2[C:50]([F:51])=[CH:49][CH:48]=[C:47]([F:52])[C:41]=2[S:42][C:43]=1[C:44](Cl)=[O:45]>>[C:4]([O:3][C:1](=[O:2])[N:8]([CH:9]1[CH2:14][CH2:13][CH:12]([N:15]([C:44]([C:43]2[S:42][C:41]3[C:47]([F:52])=[CH:48][CH:49]=[C:50]([F:51])[C:40]=3[C:39]=2[Cl:38])=[O:45])[CH2:16][C:17]2[CH:18]=[C:19]([C:30]3[CH:35]=[CH:34][CH:33]=[CH:32][C:31]=3[S:36][CH3:37])[CH:20]=[CH:21][C:22]=2[O:23][CH3:24])[CH2:11][CH2:10]1)[CH3:28])([CH3:7])([CH3:6])[CH3:5] | 1 |
CC=1C=C(C(=O)O)C=C(C1)C1=CC=CC=C1>S(O)(O)(=O)=O.CO[H]>CC=1C=C(C(=O)OC)C=C(C1)C1=CC=CC=C1 | 3 |
BrCC1=CSC2=C1C=C(C=C2)Cl.C(C1=CC=CC=C1)(=O)C=1NC2=CC=CC=C2C1CC(=O)O>N(C)(C)C=O.C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Na+]>C(C1=CC=CC=C1)(=O)C=1N(C2=CC=CC=C2C1CC(=O)O)CC=1C2=C(SC1)C=CC(=C2)Cl | 3 |
C(C)(C)(C)C1=NC(=CC(=N1)N1CCNCC1)C(F)(F)F.ClCCCCC(=O)N1CCCC(C2=C1C=CC=C2)=O>C(C)(C)N(C(C)C)CC.CN1C(CCC1)=O.[Br-].[Na+]>C(C)(C)(C)C1=NC(=CC(=N1)N1CCN(CC1)CCCCC(=O)N1CCCC(C2=C1C=CC=C2)=O)C(F)(F)F | 3 |
C1(CCCCC1)C=1N(C(=CC1)C)CC(=O)OCC.N1(CCCC1)S(=O)(=O)C1=C(C=O)C=CC=C1>FC(S(=O)(=O)O[Si](C)(C)C)(F)F.C(C)[SiH](CC)CC>C1(CCCCC1)C1=CC(=C(N1CC(=O)OCC)C)CC1=C(C=CC=C1)S(=O)(=O)N1CCCC1 | 3 |
[Br:1][C:2]1[CH:7]=[CH:6][C:5]([F:8])=[C:4]([CH3:9])[N:3]=1.[Li]CCCC.[CH:15]1([C:18]2[N:22](C(OC(C)(C)C)=O)[C:21]3[CH:30]=[C:31]([C:42]4[C:43]([CH3:48])=[N:44][O:45][C:46]=4[CH3:47])[CH:32]=[C:33]([C:34]([C:36]4[N:41]=[CH:40][CH:39]=[CH:38][N:37]=4)=[O:35])[C:20]=3[N:19]=2)[CH2:17][CH2:16]1.[NH4+].[Cl-].C(O)(C(F)(F)F)=O>C1COCC1.O>[Br:1][C:2]1[N:3]=[C:4]([CH3:9])[C:5]([F:8])=[C:6]([C:34]([C:33]2[C:20]3[N:19]=[C:18]([CH:15]4[CH2:16][CH2:17]4)[NH:22][C:21]=3[CH:30]=[C:31]([C:42]3[C:43]([CH3:48])=[N:44][O:45][C:46]=3[CH3:47])[CH:32]=2)([C:36]2[N:41]=[CH:40][CH:39]=[CH:38][N:37]=2)[OH:35])[CH:7]=1 | 2 |
[Br:1]N1C(=O)CCC1=O.[Cl:9][C:10]1[C:15]2[CH2:16][O:17][C@@H:18]3[C@H:22]([C:14]=2[CH:13]=[CH:12][CH:11]=1)[CH2:21][NH:20][CH2:19]3>S(=O)(=O)(O)O>[Br:1][C:13]1[C:14]2[C@H:22]3[C@H:18]([CH2:19][NH:20][CH2:21]3)[O:17][CH2:16][C:15]=2[C:10]([Cl:9])=[CH:11][CH:12]=1 | 2 |
C[C@@H]1N[C@@H](CNC1)C.ClC1=C(N=C(C=2C(N3[C@@H](COC21)CN(CC3)C(=O)OC(C)(C)C)=O)F)C3=C(C=CC=C3O)F>CC#N.C(C)(=O)OCC.C(C)(C)N(C(C)C)CC>C(C)(C)(C)OC(=O)N1C[C@@H]2COC3=C(C(N2CC1)=O)C(=NC(=C3Cl)C3=C(C=CC=C3O)F)N3C[C@@H](N[C@@H](C3)C)C | 3 |
[CH3:1][O:2][CH2:3][CH2:4][CH2:5]Br.C(=O)([O-])[O-].[Cs+].[Cs+].[C:13]([O:17][C:18]([N:20]1[CH2:25][C:24](=[O:26])[N:23]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=2[OH:33])[CH2:22][C:21]1([CH3:35])[CH3:34])=[O:19])([CH3:16])([CH3:15])[CH3:14].O>CN(C)C=O>[C:13]([O:17][C:18]([N:20]1[CH2:25][C:24](=[O:26])[N:23]([C:27]2[CH:32]=[CH:31][CH:30]=[CH:29][C:28]=2[O:33][CH2:5][CH2:4][CH2:3][O:2][CH3:1])[CH2:22][C:21]1([CH3:35])[CH3:34])=[O:19])([CH3:16])([CH3:14])[CH3:15] | 1 |
COC(=O)C1=NC(=NC(=C1Cl)N1[C@H](COC[C@H]1C)CO)Cl>C1CCCO1.O([Li])C(C)(C)C>COC(=O)C1=NC(=NC=2N3[C@H](COC[C@@H]3COC12)C)Cl | 3 |
[CH3:1][C@H:2]1[C@H:7]([O:8][C:9]2[CH:14]=[CH:13][C:12]([C:15]([F:18])([F:17])[F:16])=[CH:11][N:10]=2)[CH2:6][CH2:5][CH2:4][N:3]1C(OC(C)(C)C)=O.C(O)(C(F)(F)F)=O>C(Cl)Cl.C([O-])([O-])=O.[Na+].[Na+]>[CH3:1][C@H:2]1[C@H:7]([O:8][C:9]2[CH:14]=[CH:13][C:12]([C:15]([F:18])([F:16])[F:17])=[CH:11][N:10]=2)[CH2:6][CH2:5][CH2:4][NH:3]1 | 2 |
[N:1]1([C:10]2[CH:15]=[CH:14][N:13]=[C:12]([NH:16][CH:17]3[CH2:22][CH2:21][C:20](=[O:23])[CH2:19][CH2:18]3)[N:11]=2)[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[N:2]1.[CH3:24][Mg]Cl.[NH4+].[Cl-]>C1COCC1>[N:1]1([C:10]2[CH:15]=[CH:14][N:13]=[C:12]([NH:16][CH:17]3[CH2:18][CH2:19][C:20]([CH3:24])([OH:23])[CH2:21][CH2:22]3)[N:11]=2)[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[N:2]1 | 1 |
C(C)I.COC1=CC2=C(C(NCCC2)=O)C=C1>C1CCCO1.[H-].[Na+]>C(C)N1C(C2=C(CCC1)C=C(C=C2)OC)=O | 3 |
FC1=C(C=CC(=C1)F)O.BrC=1C=C(C=NC1Cl)S(=O)(=O)N>>BrC=1C=C(C=NC1OC1=C(C=C(C=C1)F)F)S(=O)(=O)N | 5 |
O[CH2:2][CH:3]1[N:8]([C:9](=[O:19])[NH:10][C:11]2[CH:16]=[CH:15][C:14]([S:17][CH3:18])=[CH:13][CH:12]=2)[CH2:7][CH2:6][N:5]([C:20]([O:22][C:23]([CH3:26])([CH3:25])[CH3:24])=[O:21])[CH2:4]1.C1CCN2C(=NCCC2)CC1.CS(Cl)(=O)=O.O>ClCCl>[CH3:18][S:17][C:14]1[CH:15]=[CH:16][C:11]([N:10]2[CH2:2][CH:3]3[CH2:4][N:5]([C:20]([O:22][C:23]([CH3:25])([CH3:24])[CH3:26])=[O:21])[CH2:6][CH2:7][N:8]3[C:9]2=[O:19])=[CH:12][CH:13]=1 | 2 |
FC1(C(C1)CN1C(N(C2=NC(=CC=C21)C=2C1CN(C(C2)CC1)C1=CC=C(C=C1)OC)C)=O)F>CC#N.O.S(O)(O)(=O)=O.I(=O)(=O)(=O)O>C12NCC(C(=C1)C1=CC=C3C(=N1)N(C(N3CC3C(C3)(F)F)=O)C)CC2 | 3 |
FC=1C=C(C=CC1O)B(O)O.BrC=1C=C(SC1Cl)S(=O)(=O)NC1=CC(=C(C(=O)O)C=C1)O>O.ClCCl.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]>ClC1=C(C=C(S1)S(=O)(=O)NC1=CC(=C(C(=O)OC)C=C1)O)C1=CC(=C(C=C1)O)F | 3 |
BrC1=C(C=C(C=C1COCOC)N(S(=O)(=O)C)C1=CC2=C(C(=C(O2)C2=CC=C(C=C2)F)C(=O)NC)C=C1C1CC1)Cl>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.C(C)(=O)[O-].[K+].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(=CC2=C1B(OC2)O)N(S(=O)(=O)C)C2=CC1=C(C(=C(O1)C1=CC=C(C=C1)F)C(=O)NC)C=C2C2CC2 | 3 |
FC=1C=C(C=CC1F)CC(C(=O)N1CCC2(CS(C2)(=O)=O)CC1)C>C1CCCO1.CO[H].B.C1CCOC1>FC=1C=C(C=CC1F)CC(CN1CCC2(CS(C2)(=O)=O)CC1)C | 3 |
N1CCC(CC1)N1C(NC2=C1C=CC=C2)=O.C1(=CC=CC=C1)C=1C(=NC2=NC=CC=C2C1)C1=CC=C(C=O)C=C1>N(C)(C)C=O.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C1(=CC=CC=C1)C=1C(=NC2=NC=CC=C2C1)C1=CC=C(CN2CCC(CC2)N2C(NC3=C2C=CC=C3)=O)C=C1 | 3 |
[CH3:1][C:2]1([CH:18]=[O:19])[CH2:17][CH2:16][CH2:15][C:4]2([O:8][C:7](=[O:9])[N:6]([CH2:10][C:11]([CH3:14])([CH3:13])[CH3:12])[CH2:5]2)[CH2:3]1.CO.[BH4-].[Na+]>C1COCC1>[OH:19][CH2:18][C:2]1([CH3:1])[CH2:17][CH2:16][CH2:15][C:4]2([O:8][C:7](=[O:9])[N:6]([CH2:10][C:11]([CH3:13])([CH3:14])[CH3:12])[CH2:5]2)[CH2:3]1 | 1 |
NC1=NC2=CC=C(C=C2C(=N1)C(=O)N1CC2=CC=CC=C2C1)B1OC(C(O1)(C)C)(C)C.BrC1=C(CN2C(CCC2C)C)C=C(C(=C1)F)F>>NC1=NC2=CC=C(C=C2C(=N1)C(=O)N1CC2=CC=CC=C2C1)C1=C(C=C(C(=C1)F)F)CN1C(CCC1C)C | 5 |
[OH:1][CH:2]1[CH2:7][CH2:6][N:5]([C:8]([N:10]2[CH2:15][CH:14]([C:16]3[CH:21]=[CH:20][C:19]([C:22]([F:25])([F:24])[F:23])=[CH:18][CH:17]=3)[CH2:13][CH:12]([C:26]([OH:28])=O)[CH2:11]2)=[O:9])[CH2:4][CH2:3]1.O[NH:30][C:31](=[NH:37])[CH2:32][S:33]([CH3:36])(=[O:35])=[O:34]>>[OH:1][CH:2]1[CH2:7][CH2:6][N:5]([C:8]([N:10]2[CH2:15][CH:14]([C:16]3[CH:21]=[CH:20][C:19]([C:22]([F:24])([F:25])[F:23])=[CH:18][CH:17]=3)[CH2:13][CH:12]([C:26]3[O:28][N:37]=[C:31]([CH2:32][S:33]([CH3:36])(=[O:35])=[O:34])[N:30]=3)[CH2:11]2)=[O:9])[CH2:4][CH2:3]1 | 2 |
[OH:1][C:2]1[CH:7]=[CH:6][C:5]([C:8](=[C:21]2[CH2:26][C:25](C)(C)[CH2:24][C:23](C)(C)[CH2:22]2)[C:9]2[CH:14]=[CH:13][C:12]([CH2:15][CH2:16][C:17](OC)=O)=CC=2)=[CH:4][CH:3]=1.[O:31]1[CH:35]=[CH:34][CH:33]=[C:32]1B(O)O.C([O-])([O-])=O.[Na+].[Na+].C1COCC1.O>CCOCC.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>[C:9]1(=[C:8]([C:21]2[CH:22]=[CH:23][C:24]([C:32]3[O:31][CH:35]=[CH:34][CH:33]=3)=[CH:25][CH:26]=2)[C:5]2[CH:4]=[CH:3][C:2]([OH:1])=[CH:7][CH:6]=2)[CH2:14][CH2:13][CH2:12][CH2:15][CH2:16][CH2:17]1 | 1 |
CC1=CC(CC1)=NNC(OC(C)(C)C)=O>C1(=CC=CC=C1)C.C1CCCO1.C(C)OCC.CO[H].Cl.C(C)(C)O.C(#N)[BH3-].[Na+]>CC1CC(CC1)NN | 3 |
O1CC12CCN(CC2)C(=O)OC(C)(C)C.C(C=C)N1C=CC=2N=CNC(C21)=O>N(C)(C)C=O.O.C(=O)([O-])[O-].[Cs+].[Cs+]>C(C=C)N1C=CC=2N=CN(C(C21)=O)CC2(CCN(CC2)C(=O)OC(C)(C)C)O | 3 |
[Cl:1][C:2]1[C:3]2[N:4]([C:8](=[O:27])[NH:9][C:10]=2[C:11]2[CH:20]=[C:19]3[C:14]([CH:15]=[CH:16][C:17]([C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=4)=[N:18]3)=[CH:13][CH:12]=2)[CH:5]=[CH:6][N:7]=1.[CH2:28](O)[CH3:29].CN1CCCN(C)C1=O.ICC>C(=O)([O-])[O-].[Ag+2]>[Cl:1][C:2]1[C:3]2[N:4]([C:8]([O:27][CH2:28][CH3:29])=[N:9][C:10]=2[C:11]2[CH:20]=[C:19]3[C:14]([CH:15]=[CH:16][C:17]([C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=4)=[N:18]3)=[CH:13][CH:12]=2)[CH:5]=[CH:6][N:7]=1 | 1 |
[NH2:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=O)=[CH:4][CH:3]=1.[CH2:11]1[C@H:20]2[C@H:15]([CH2:16][CH2:17][C:18]3[CH:24]=[CH:23][CH:22]=[CH:21][C:19]=32)[NH:14][CH2:13][CH2:12]1.F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2N=CC=CC=2N=N1>>[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([C:6]([N:14]2[C@@H:15]3[C@@H:20]([C:19]4[CH:21]=[CH:22][CH:23]=[CH:24][C:18]=4[CH2:17][CH2:16]3)[CH2:11][CH2:12][CH2:13]2)=[O:8])=[CH:9][CH:10]=1 | 1 |
CN1CCN(CC1)C1=CC=C(N)C=C1.C(C)(=O)OCC1=CC=C2C=NC(=NC2=C1Br)Cl>>C(C)(=O)OCC1=CC=C2C=NC(=NC2=C1Br)NC1=CC=C(C=C1)N1CCN(CC1)C | 5 |
OC1CC2CCC(C1)N2C(=O)OC(C)(C)C.ClCC=1C(=NOC1C1CC1)C1C(C1)C1=CC=CC=C1>CC(C)(C)[O-].[K+].C1CCCO1.C1COCCOCCOCCOCCOCCO1>C1(CC1)C1=C(C(=NO1)C1C(C1)C1=CC=CC=C1)COC1CC2CCC(C1)N2C(=O)OC(C)(C)C | 3 |
O(C1=CC=CC=C1)C=1C=C(C=CC1)O>CC#N.C([O-])([O-])=O.[K+].[K+].CC(C)(C)O>O(C1=CC=CC=C1)C=1C=C(OCCC#N)C=CC1 | 3 |
ClC1=NC=NC2=CC(=C(C=C12)OC)OCCCN1C(CN(CC1)C)=O.ClC1=C(C2=C(OCO2)C(=C1)C#CC1=NC=CC=C1)N>>ClC1=C(C2=C(OCO2)C(=C1)C#CC1=NC=CC=C1)NC1=NC=NC2=CC(=C(C=C12)OC)OCCCN1C(CN(CC1)C)=O | 5 |
FC(F)(F)C(O)=O.FC(F)(F)C(O)=O.FC(F)(F)C(O)=O.[F:22][C:23]1[CH:40]=[CH:39][C:26]2[N:27]=[C:28]([S:30][CH2:31][CH2:32][N:33]3[CH2:38][CH2:37][NH:36][CH2:35][CH2:34]3)[NH:29][C:25]=2[CH:24]=1.Br[CH2:42][C:43]([NH:45][C:46]1[C:47]([O:59][CH2:60][C:61]([F:64])([F:63])[F:62])=[N:48][C:49]([CH3:58])=[CH:50][C:51]=1[O:52][CH2:53][C:54]([F:57])([F:56])[F:55])=[O:44].C(=O)([O-])[O-].[K+].[K+].O>C(#N)C>[F:22][C:23]1[CH:40]=[CH:39][C:26]2[N:27]=[C:28]([S:30][CH2:31][CH2:32][N:33]3[CH2:38][CH2:37][N:36]([CH2:42][C:43]([NH:45][C:46]4[C:47]([O:59][CH2:60][C:61]([F:64])([F:62])[F:63])=[N:48][C:49]([CH3:58])=[CH:50][C:51]=4[O:52][CH2:53][C:54]([F:56])([F:57])[F:55])=[O:44])[CH2:35][CH2:34]3)[NH:29][C:25]=2[CH:24]=1 | 1 |
[Br:1]N1C(=O)CCC1=O.[NH2:9][C:10]1[CH:11]=[C:12]([C:17]([F:20])([F:19])[F:18])[CH:13]=[CH:14][C:15]=1[Cl:16]>CN(C=O)C>[NH2:9][C:10]1[C:15]([Cl:16])=[CH:14][C:13]([Br:1])=[C:12]([C:17]([F:20])([F:18])[F:19])[CH:11]=1 | 1 |
ClC=1C=C2C=C(N(C2=CC1)CCCS(=O)(=O)C)C(=O)O.FC(CNC=1C=NC=CC1N)(F)F>CC#N.O.C1(=CC=NC=C1)N(C)C.CCN=C=NCCCN(C)C>ClC=1C=C2C=C(N(C2=CC1)CCCS(=O)(=O)C)C(=O)NC=1C=NC=CC1NCC(F)(F)F | 3 |
[C:1]([C:4]1[C:9]([NH:10][C:11]([C:13]2[CH:17]=[C:16]([CH:18]([CH3:20])[CH3:19])[O:15][N:14]=2)=O)=[C:8]([Cl:21])[C:7]([O:22][CH3:23])=[CH:6][CH:5]=1)(=[O:3])[CH3:2].C(C1N=C(C2C=C(O)C3C(=CC(OC)=CC=3)N=2)SC=1)(C)C>>[Cl:21][C:8]1[C:7]([O:22][CH3:23])=[CH:6][CH:5]=[C:4]2[C:9]=1[N:10]=[C:11]([C:13]1[CH:17]=[C:16]([CH:18]([CH3:20])[CH3:19])[O:15][N:14]=1)[CH:2]=[C:1]2[OH:3] | 1 |
NC1=C2C(=NC=N1)N(N=C2C2=CC=C(C=C2)CC=2OC1=C(N2)C=C(C=C1C)C)[C@@H]1CC[C@H](CC1)OCC(=O)O>>NC1=C2C(=NC=N1)N(N=C2C2=CC=C(C=C2)CC=2OC1=C(N2)C=C(C=C1C)C)[C@@H]1CC[C@H](CC1)OCCO | 5 |
C(C1=CC=CC=C1)OC=1C=C(C2=CC=CC=C2C1)N1CC=2N=C(N=C(C2CC1)N1CC(N(CC1)C(=O)OC(C)(C)C)C(=O)O)OCCN(C)C>ClCCl.C(C)(C)N(C(C)C)CC.CNC.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)N1C(CN(CC1)C=1C2=C(N=C(N1)OCCN(C)C)CN(CC2)C2=CC(=CC1=CC=CC=C21)OCC2=CC=CC=C2)C(N(C)C)=O | 3 |
Cl[C:2]1[CH:7]=[C:6]([CH:8]2[CH2:13][CH2:12][N:11]([CH:14]3[CH2:17][O:16][CH2:15]3)[CH2:10][CH2:9]2)[CH:5]=[C:4]([N:18]2[CH2:21][CH:20]([O:22][CH3:23])[CH2:19]2)[N:3]=1.CC1(C)C(C)(C)OB([C:32]2[CH:33]=[C:34]([C:39]([F:42])([F:41])[F:40])[C:35]([NH2:38])=[N:36][CH:37]=2)O1.C(=O)([O-])[O-].[Cs+].[Cs+]>O1CCOCC1.O.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2]>[CH3:23][O:22][CH:20]1[CH2:21][N:18]([C:4]2[N:3]=[C:2]([C:32]3[CH:37]=[N:36][C:35]([NH2:38])=[C:34]([C:39]([F:42])([F:41])[F:40])[CH:33]=3)[CH:7]=[C:6]([CH:8]3[CH2:13][CH2:12][N:11]([CH:14]4[CH2:17][O:16][CH2:15]4)[CH2:10][CH2:9]3)[CH:5]=2)[CH2:19]1 | 1 |
O1C(=CC=C1)B(O)O.BrC1=C(N)C=CC=C1>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>O1C(=CC=C1)C1=C(N)C=CC=C1 | 3 |
[C:1]1([NH:7][C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.I[C:15]1[CH:20]=[CH:19][C:18]([I:21])=[CH:17][CH:16]=1.C(=O)([O-])[O-].[K+].[K+]>ClC1C=CC=CC=1Cl.[Cu]>[C:8]1([N:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)[C:15]2[CH:20]=[CH:19][C:18]([I:21])=[CH:17][CH:16]=2)[CH:9]=[CH:10][CH:11]=[CH:12][CH:13]=1 | 2 |
[Cl:1][C:2]1[CH:24]=[C:23]([Cl:25])[CH:22]=[CH:21][C:3]=1[CH2:4][O:5][C:6]1[C:15]([CH3:16])=[C:14]([O:17][CH2:18][O:19][CH3:20])[CH:13]=[CH:12][C:7]=1[C:8]([O:10]C)=[O:9].[OH-].[Na+].O>O1CCCC1.CO>[Cl:1][C:2]1[CH:24]=[C:23]([Cl:25])[CH:22]=[CH:21][C:3]=1[CH2:4][O:5][C:6]1[C:15]([CH3:16])=[C:14]([O:17][CH2:18][O:19][CH3:20])[CH:13]=[CH:12][C:7]=1[C:8]([OH:10])=[O:9] | 2 |
C1(=CC=CC=C1)S(=O)(=O)Cl.NCC1C(CN(CCO1)C(=O)OC(C)(C)C)C1=CC(=C(C=C1)Cl)Cl>C1CCCO1.CCN(CC)CC>ClC=1C=C(C=CC1Cl)C1CN(CCOC1CNS(=O)(=O)C1=CC=CC=C1)C(=O)OC(C)(C)C | 3 |
[CH3:1][O:2][C:3]1[CH:22]=[CH:21][C:6]([C:7]([C:9]2[C:18](=[O:19])[C:17]3[C:12](=[CH:13][CH:14]=[C:15]([CH3:20])[N:16]=3)[NH:11][CH:10]=2)=[O:8])=[CH:5][C:4]=1[CH3:23].Br[CH2:25][C:26]1[CH:31]=[CH:30][CH:29]=[C:28]([CH3:32])[N:27]=1>CN(C)C=O>[CH3:1][O:2][C:3]1[CH:22]=[CH:21][C:6]([C:7]([C:9]2[C:18](=[O:19])[C:17]3[C:12](=[CH:13][CH:14]=[C:15]([CH3:20])[N:16]=3)[N:11]([CH2:25][C:26]3[CH:31]=[CH:30][CH:29]=[C:28]([CH3:32])[N:27]=3)[CH:10]=2)=[O:8])=[CH:5][C:4]=1[CH3:23] | 1 |
[Br:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[O:9][C:10]([C:16]([F:19])([F:18])[F:17])=[C:11]([C:13]([OH:15])=O)[N:12]=1.[CH3:20][O:21][CH2:22][CH2:23][N:24]([CH3:32])[C:25]1[N:30]=[CH:29][C:28]([NH2:31])=[CH:27][N:26]=1>>[CH3:20][O:21][CH2:22][CH2:23][N:24]([CH3:32])[C:25]1[N:26]=[CH:27][C:28]([NH:31][C:13]([C:11]2[N:12]=[C:8]([C:3]3[CH:4]=[CH:5][CH:6]=[CH:7][C:2]=3[Br:1])[O:9][C:10]=2[C:16]([F:19])([F:18])[F:17])=[O:15])=[CH:29][N:30]=1 | 1 |
NC=1NC2=C(N1)C=CC=C2>N(C)(C)C=O.[OH-].[K+]>C(C)OC(CN1C(=NC2=C1C=CC=C2)N)OCC | 3 |
[F:1][C:2]([F:26])([F:25])[C:3]([C:18]1[CH:19]=[C:20]([OH:24])[CH:21]=[CH:22][CH:23]=1)([O:8][CH2:9][C:10]1[CH:15]=[CH:14][C:13]([O:16][CH3:17])=[CH:12][CH:11]=1)[C:4]([F:7])([F:6])[F:5].Br[CH2:28][CH2:29][CH2:30][OH:31].C([O-])([O-])=O.[Cs+].[Cs+].[I-].[K+]>CC(C)=O>[F:1][C:2]([F:25])([F:26])[C:3]([C:18]1[CH:19]=[C:20]([CH:21]=[CH:22][CH:23]=1)[O:24][CH2:28][CH2:29][CH2:30][OH:31])([O:8][CH2:9][C:10]1[CH:11]=[CH:12][C:13]([O:16][CH3:17])=[CH:14][CH:15]=1)[C:4]([F:6])([F:5])[F:7] | 1 |
COC(CCC1NC(CC1C1=CC(=C(C=C1)Cl)Cl)=O)=O.COC(CC(C1NC(CC1)=O)C1=CC(=C(C=C1)Cl)Cl)=O>Cl.[OH-].[Na+]>ClC=1C=C(C=CC1Cl)C(CC(=O)O)C1NC(CC1)=O.ClC=1C=C(C=CC1Cl)C1C(NC(C1)=O)CCC(=O)O | 3 |
C1(S([N:10]2[C:14]3=[N:15][CH:16]=[C:17](Br)[CH:18]=[C:13]3[C:12]([C:20]#[N:21])=[CH:11]2)(=O)=O)C=CC=CC=1.[F:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=1B(O)O.[Li+].[Cl-].C([O-])([O-])=O.[Na+].[Na+]>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.C1(C)C=CC=CC=1.CCO>[F:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=1[C:17]1[CH:18]=[C:13]2[C:12]([C:20]#[N:21])=[CH:11][NH:10][C:14]2=[N:15][CH:16]=1 | 1 |
ClC1=NC=C(C(=N1)C(F)(F)F)C(=O)OCC.C(C)(=O)OCC=1C(=CC2=C(N=C3N2CCN[C@@H]3C(C)C)C1)S(=O)(=O)C>C(C)(=O)OCC.C(C)(C)N(C(C)C)CC.ClCCl.CC(C)O>C(C)(=O)OCC=1C(=CC2=C(N=C3N2CCN([C@@H]3C(C)C)C3=NC=C(C(=N3)C(F)(F)F)C(=O)OCC)C1)S(=O)(=O)C | 3 |
[F:1][C:2]([F:13])([F:12])[C:3]1[C:11]2[CH2:10][CH2:9][CH2:8][CH2:7][C:6]=2[NH:5][N:4]=1.Cl[CH2:15][C:16]1[CH:21]=[C:20]([C:22]([O:24][CH3:25])=[O:23])[CH:19]=[CH:18][N:17]=1.CN(C=O)C.CC(C)([O-])C.[K+]>O>[F:13][C:2]([F:1])([F:12])[C:3]1[C:11]2[CH2:10][CH2:9][CH2:8][CH2:7][C:6]=2[N:5]([CH2:15][C:16]2[CH:21]=[C:20]([C:22]([O:24][CH3:25])=[O:23])[CH:19]=[CH:18][N:17]=2)[N:4]=1 | 2 |
CS(=O)(=O)OCC1=CC=C(C=C1)CN(C)C(=O)OC(C)(C)C>CS(=O)C.[C-]#N.[K+]>C(#N)CC1=CC=C(C=C1)CN(C(OC(C)(C)C)=O)C | 3 |
Br[C:2]1[CH:3]=[N:4][N:5]([CH:8]2[CH2:13][CH2:12][CH2:11][CH2:10][O:9]2)[C:6]=1[CH3:7].C([O-])([O-])=O.[Na+].[Na+].[C:20]1([CH2:26][CH2:27][C:28]([N:30]2[CH2:35][CH2:34][CH:33]([CH2:36][N:37]3[C:45]4[C:40](=[CH:41][C:42](B5OC(C)(C)C(C)(C)O5)=[CH:43][CH:44]=4)[CH:39]=[CH:38]3)[CH2:32][CH2:31]2)=[O:29])[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1.ClCCl>O1CCOCC1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2].C(OCC)(=O)C.O>[CH3:7][C:6]1[N:5]([CH:8]2[CH2:13][CH2:12][CH2:11][CH2:10][O:9]2)[N:4]=[CH:3][C:2]=1[C:42]1[CH:41]=[C:40]2[C:45](=[CH:44][CH:43]=1)[N:37]([CH2:36][CH:33]1[CH2:34][CH2:35][N:30]([C:28](=[O:29])[CH2:27][CH2:26][C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)[CH2:31][CH2:32]1)[CH:38]=[CH:39]2 | 2 |
[Cl:1][C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[C:4](I)[C:3]=1[OH:10].[CH3:11][O:12][C:13]1[CH:18]=[CH:17][C:16]([C:19]#[CH:20])=[CH:15][CH:14]=1.O>CN(C=O)C.C(NCC)C>[Cl:8][C:6]1[CH:7]=[C:2]([Cl:1])[C:3]2[O:10][C:19]([C:16]3[CH:17]=[CH:18][C:13]([O:12][CH3:11])=[CH:14][CH:15]=3)=[CH:20][C:4]=2[CH:5]=1 | 1 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[O:12][C:11]([C:13](Cl)=[O:14])=[CH:10][CH:9]=1.[NH2:16][C:17]1[O:18][C:19]([C:22]2[O:23][CH:24]=[CH:25][CH:26]=2)=[N:20][N:21]=1.CO>N1C=CC=CC=1>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[O:12][C:11]([C:13]([NH:16][C:17]2[O:18][C:19]([C:22]3[O:23][CH:24]=[CH:25][CH:26]=3)=[N:20][N:21]=2)=[O:14])=[CH:10][CH:9]=1 | 1 |
CCOC(=O)[C@H]1N(CC(C1)(C)C)C(=O)OC(C)(C)C>>Cl.C(C)OC(=O)[C@H]1NCC(C1)(C)C | 5 |
BrC[C@H]([C@@H]1[C@@H](CC(=O)O1)O)O>>BrC[C@@H]1[C@@H](CC(=O)O1)O | 5 |
Br[C:2]1[N:3]=[CH:4][C:5]([NH2:8])=[N:6][CH:7]=1.[CH:9]([Sn](CCCC)(CCCC)CCCC)=[CH2:10].[Li+].[Cl-].CCN(C(C)C)C(C)C.[F-].[K+]>CN(C=O)C.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>[CH:9]([C:2]1[N:3]=[CH:4][C:5]([NH2:8])=[N:6][CH:7]=1)=[CH2:10] | 1 |
[CH:1]1([C:6]([C:8]2[CH:13]=[C:12]([O:14][CH3:15])[CH:11]=[C:10]([O:16][CH3:17])[CH:9]=2)=O)[CH2:5][CH2:4][CH2:3][CH2:2]1.C(C1(C2C=C(OC)C=C(OC)C=2)[S:26][CH2:25][CH2:24][S:23]1)CCC>CCCCCC.C(OCC)(=O)C>[CH:1]1([C:6]2([C:8]3[CH:13]=[C:12]([O:14][CH3:15])[CH:11]=[C:10]([O:16][CH3:17])[CH:9]=3)[S:26][CH2:25][CH2:24][S:23]2)[CH2:5][CH2:4][CH2:3][CH2:2]1 | 1 |
CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[C:25]([N:28]1[C:37]2[C:32](=[CH:33][C:34]([NH2:38])=[CH:35][CH:36]=2)[C:31]([C:40]2[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=2)([CH3:39])[CH2:30][C:29]1([CH3:47])[CH3:46])(=[O:27])[CH3:26].[C:48]([O:51][C:52]1[CH:60]=[CH:59][CH:58]=[CH:57][C:53]=1[C:54](O)=[O:55])(=[O:50])[CH3:49].C(N(CC)C(C)C)(C)C>O1CCCC1>[C:25]([N:28]1[C:37]2[C:32](=[CH:33][C:34]([NH:38][C:54](=[O:55])[C:53]3[CH:57]=[CH:58][CH:59]=[CH:60][C:52]=3[O:51][C:48](=[O:50])[CH3:49])=[CH:35][CH:36]=2)[C:31]([C:40]2[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=2)([CH3:39])[CH2:30][C:29]1([CH3:47])[CH3:46])(=[O:27])[CH3:26] | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.C(#N)CNCC1=CC=C(C=C1)C(=O)N1C[C@@H](CCC1)C(CCCNC(OC)=O)(O)C1=C(C(=CC=C1)F)C1=CC(=CC=C1)C>>C(#N)CN(C(OC(C)(C)C)=O)CC1=CC=C(C=C1)C(=O)N1C[C@@H](CCC1)C(CCCNC(=O)OC)(O)C1=C(C(=CC=C1)F)C1=CC(=CC=C1)C | 5 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.OCC1CCNCC1>C1CCCO1.C(C)(=O)OCC>C(C)(C)(C)OC(=O)N1CCC(CC1)CO | 3 |
ClCC=1OC=CN1.FC=1C=CC(=C2CC[C@H](C12)OC1=CC2=C([C@@H](CO2)CC(=O)OC)C=C1)C1=C(C=C(C=C1C)O)C>>CC1=C(C(=CC(=C1)OCC=1OC=CN1)C)C1=C2CC[C@H](C2=C(C=C1)F)OC1=CC2=C([C@@H](CO2)CC(=O)OC)C=C1 | 5 |
C(C)(C)(C)OC(=O)N1CC=2N=C(N=CC2C1)C(F)(F)F>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.FC(C=1N=CC2=C(N1)CNC2)(F)F | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]=[C:7]([S:12]([N:15]1[CH2:20][CH2:19][NH:18][CH2:17][CH2:16]1)(=[O:14])=[O:13])[CH:6]=[CH:5]2.C(N(CC)CC)C.[I:28][C:29]1[CH:37]=[CH:36][C:32]([C:33](Cl)=[O:34])=[CH:31][CH:30]=1>ClCCl>[Cl:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[CH:8]=[C:7]([S:12]([N:15]1[CH2:16][CH2:17][N:18]([C:33](=[O:34])[C:32]3[CH:36]=[CH:37][C:29]([I:28])=[CH:30][CH:31]=3)[CH2:19][CH2:20]1)(=[O:13])=[O:14])[CH:6]=[CH:5]2 | 1 |
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)Cl.CC=1C(NC=CC1OC)(C(=O)O)N>>CC=1C(NC=CC1OC)(C(=O)O)NC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1 | 5 |
[Br-].C[Mg+].CON(C(=O)C1=CN=CN1C)C>>CN1C=NC=C1C(C)=O | 5 |
[I-].CN1C=C(C2=CC=CC=C12)[C@@H](C)[C@@H]1C(N[C@@H](C(N1)=O)C[CH2+]1N(C=CC=C1)C)=O>O.CO[H].[Na+].[BH4-]>CN1CCC=CC1CC1C(NCC(N1)=O)=O | 3 |
FC1=C(C(=CC=C1)SC1=C(C=CC=C1)CO)CNS(=O)C(C)(C)C>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O.C(O)([O-])=O.[Na+]>FC1=C(C(=CC=C1)SC1=C(C=CC=C1)C=O)CNS(=O)C(C)(C)C | 3 |
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[NH:12][CH:11]=[C:10]([CH:13]=[O:14])[C:9]=1[CH3:15].[H-].[Na+].C1OCCOCCOCCOCCOC1.[N:33]1[CH:38]=[CH:37][CH:36]=[C:35]([S:39](Cl)(=[O:41])=[O:40])[CH:34]=1>>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[N:12]([S:39]([C:35]2[CH:34]=[N:33][CH:38]=[CH:37][CH:36]=2)(=[O:41])=[O:40])[CH:11]=[C:10]([CH:13]=[O:14])[C:9]=1[CH3:15] | 1 |
[Br-].C1(=CC=CC=C1)[S+](C1=CC=CC=C1)C1=CC=CC=C1.C(C)(C)(C)[NH3+].C12(CC3CC(CC(C1)C3)C2)COC(=O)C(S(=O)(=O)[O-])(F)F>>C12(CC3CC(CC(C1)C3)C2)COC(=O)C(S(=O)(=O)[O-])(F)F.C2(=CC=CC=C2)[S+](C2=CC=CC=C2)C2=CC=CC=C2 | 5 |
C(C1=CC=CC=C1)N1C(N(CC1)C=1SC(=C(N1)C)C(=O)O)=O>>C(C1=CC=CC=C1)N1C(N(CC1)C=1SC(=C(N1)C)C(=O)N)=O | 5 |
[H-].[Na+].[CH2:3]1[O:7][C@@H:6]2[C@@H:8]([OH:11])[CH2:9][O:10][C@@H:5]2[C@@H:4]1[OH:12].[CH3:13]I.[Cl:15][C:16]1[CH:17]=[C:18]([NH:23][C:24]2[C:33]3[C:28](=[CH:29][C:30](F)=[C:31]([N+:34]([O-:36])=[O:35])[CH:32]=3)[N:27]=[CH:26][N:25]=2)[CH:19]=[CH:20][C:21]=1[F:22]>CN(C=O)C>[Cl:15][C:16]1[CH:17]=[C:18]([NH:23][C:24]2[C:33]3[C:28](=[CH:29][C:30]([O:12][C@H:4]4[CH2:3][O:7][C@H:6]5[C@H:8]([O:11][CH3:13])[CH2:9][O:10][C@@H:5]45)=[C:31]([N+:34]([O-:36])=[O:35])[CH:32]=3)[N:27]=[CH:26][N:25]=2)[CH:19]=[CH:20][C:21]=1[F:22] | 1 |
Br[C:2]1[CH:15]=[C:14]2[C:5]([CH2:6][C:7]3([C:13]42[N:19]=[C:18]([NH2:20])[C:17]([CH3:21])=[N:16]4)[CH2:12][CH2:11][O:10][CH2:9][CH2:8]3)=[CH:4][CH:3]=1.[Cl:22][C:23]1[CH:24]=[C:25](B(O)O)[CH:26]=[CH:27][CH:28]=1.C([O-])([O-])=O.[K+].[K+].O1CCOCC1>[Cl-].[Na+].O.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2]>[Cl:22][C:23]1[CH:28]=[C:27]([C:2]2[CH:15]=[C:14]3[C:5]([CH2:6][C:7]4([C:13]53[N:19]=[C:18]([NH2:20])[C:17]([CH3:21])=[N:16]5)[CH2:8][CH2:9][O:10][CH2:11][CH2:12]4)=[CH:4][CH:3]=2)[CH:26]=[CH:25][CH:24]=1 | 1 |
CC1(OB(OC1(C)C)C1=CCC(CC1)C(=O)OCC)C.BrC=1N=C(SC1)C(=O)C1=CNC2=CC=CC=C12>O.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]>N1C=C(C2=CC=CC=C12)C(=O)C=1SC=C(N1)C1=CCC(CC1)C(=O)OCC | 3 |
C(C1=CC=CC=C1)OC=1C=C(C=O)C=CC1>CO[H].N.C[Si](C)(C)C#N>NC(C#N)C1=CC(=CC=C1)OCC1=CC=CC=C1 | 3 |
O[C@H]1[C@@H](O[C@@H]([C@H]1O)CO)C(=O)N>>C(C1=CC=CC=C1)(=O)O.C(C1=CC=CC=C1)(=O)O.C(C1=CC=CC=C1)(=O)O.O[C@H]1[C@@H](O[C@@H]([C@H]1O)CO)C(N)=S | 5 |
C(C1=CC=CC=C1)S(=O)(=O)NC(=O)C1CCNCC1.ClC1=NC(=C(C(=O)OCC)C=C1C#N)C(C(F)(F)F)(F)F>CCO[H].C(C)(C)N(C(C)C)CC>C(C1=CC=CC=C1)S(=O)(=O)NC(=O)C1CCN(CC1)C1=NC(=C(C(=O)OCC)C=C1C#N)C(C(F)(F)F)(F)F | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:9]=[CH:10][C:11]=1[C:12]1[O:16][C:15]([CH3:17])=[N:14][CH:13]=1)[C:6](O)=[O:7].O.[NH2:19][NH2:20]>C1COCC1>[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:9]=[CH:10][C:11]=1[C:12]1[O:16][C:15]([CH3:17])=[N:14][CH:13]=1)[C:6]([NH:19][NH2:20])=[O:7] | 1 |
C(C)(=O)C=1C=C(C=C(C1)S(F)(F)(F)(F)F)NC(C)=O>C1CCCO1.CO[H].[Br-].[Br-].[Br-].C1(=CC=CC=C1)[N+](C)(C)C.C1(=CC=CC=C1)[N+](C)(C)C.C1(=CC=CC=C1)[N+](C)(C)C>BrCC(=O)C=1C=C(C=C(C1)S(F)(F)(F)(F)F)NC(C)=O | 3 |
Br[CH2:2][CH2:3][C:4]1[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([C:13]#[N:14])[CH:11]=2)[NH:6][C:5]=1[Si:15]([CH2:20][CH3:21])([CH2:18][CH3:19])[CH2:16][CH3:17].[N-:22]=[N+:23]=[N-:24].[Na+]>CN(C=O)C>[N:22]([CH2:2][CH2:3][C:4]1[C:12]2[C:7](=[CH:8][CH:9]=[C:10]([C:13]#[N:14])[CH:11]=2)[NH:6][C:5]=1[Si:15]([CH2:20][CH3:21])([CH2:18][CH3:19])[CH2:16][CH3:17])=[N+:23]=[N-:24] | 1 |
CI.COCCN(CC)CC>>[I-].COCC[N+](C)(CC)CC | 5 |
IC=1C=CC(=NC1)N1C[C@@H](CC1)CO>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>IC=1C=CC(=NC1)N1C[C@@H](CC1)C=O | 3 |
[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])=[CH:2]1.[CH2:13]([OH:15])C>[OH-].[Na+]>[CH3:13][O:15][C:8]1[CH:7]=[CH:6][CH:5]=[C:4]2[C:9]=1[NH:1][CH:2]=[C:3]2[C:10]([OH:12])=[O:11] | 1 |
FC(C=1NC2=CC=C(C=C2C1)CN)(F)F.C(C)OC=1C=C(C=CC1)C1=NC=C(C=N1)C(=O)O>>C(C)OC=1C=C(C=CC1)C1=NC=C(C=N1)C(=O)NCC=1C=C2C=C(NC2=CC1)C(F)(F)F | 5 |
C\C=C\C1=CC=CC=C1>O(O[H])[H].ClCCl.c1ccncc1.C[Re](=O)(=O)=O>CC1OC1C1=CC=CC=C1 | 3 |
[CH:1]([NH:3][CH2:4][C:5]1[N:10]=[C:9]([N:11]2[CH2:16][CH2:15][N:14]([C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH2:13][CH2:12]2)[C:8]([C:24]([O:26][CH3:27])=[O:25])=[CH:7][CH:6]=1)=[O:2].[Cl:28]N1C(=O)CCC1=O>O1CCCC1>[Cl:28][C:6]1[CH:7]=[C:8]([C:24]([O:26][CH3:27])=[O:25])[C:9]([N:11]2[CH2:16][CH2:15][N:14]([C:17]([O:19][C:20]([CH3:21])([CH3:22])[CH3:23])=[O:18])[CH2:13][CH2:12]2)=[N:10][C:5]=1[CH2:4][NH:3][CH:1]=[O:2] | 1 |
C1(=CC=CC=C1)C1CCNCC1.COC(CCC(N1C(C2=CC=CC(=C2C1)OCC1=CC=C(C=C1)CCl)=O)C(N)=O)=O>CC#N.C(C)(C)N(C(C)C)CC>O=C1N(CC2=C(C=CC=C12)OCC1=CC=C(C=C1)CN1CCC(CC1)C1=CC=CC=C1)C1C(NC(CC1)=O)=O | 3 |
C(C)(C)(C)OC(=O)[C@H]1CC[C@@H](S1)CC#N>C(C)OCC.CC(C)C[AlH]CC(C)C.CCCCCC.OC(=O)CC(O)(CC(O)=O)C(O)=O>C(C)(C)(C)OC(=O)[C@H]1CC[C@@H](S1)CC=O | 3 |
[OH:1][C:2]1[CH:10]=[CH:9][C:8]([OH:11])=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].[N:12]12CCCN=C1C[CH2:16][CH2:15][CH2:14][CH2:13]2.BrCCCC#N.C(#N)C>O>[OH:1][C:2]1[CH:10]=[CH:9][C:8]([OH:11])=[CH:7][C:3]=1[C:4]([O:6][CH2:16][CH2:15][CH2:14][C:13]#[N:12])=[O:5] | 1 |
C(C)(=O)[O-].CN(C1=CC=C(C=NN2C(=[N+](C=C2)N=CC2=CC=C(C=C2)N(C)C)C(C)C)C=C1)C>C(O)([O-])=O.[Na+]>C(O)([O-])=O.CN(C1=CC=C(C=NN2C(=[N+](C=C2)N=CC2=CC=C(C=C2)N(C)C)C(C)C)C=C1)C | 3 |
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