smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C(=O)(O)[O-].[Na+].Cl[CH2:7][C:8]1[C@H:9]2[CH2:14][CH:11]([CH2:12][CH:13]=1)[C:10]2([CH3:16])[CH3:15].[O:17]=[C:18]1[NH:24][C:23]2[CH:25]=[CH:26][CH:27]=[CH:28][C:22]=2[NH:21][CH2:20][C@H:19]1[NH:29][C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31]>CO>[O:17]=[C:18]1[NH:24][C:23]2[CH:25]=[CH:26][CH:27]=[CH:28][C:22]=2[N:21]([CH2:7][C:8]2[C@H:9]3[CH2:14][CH:11]([CH2:12][CH:13]=2)[C:10]3([CH3:16])[CH3:15])[CH2:20][C@H:19]1[NH:29][C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31] | 1 |
C(O[CH:4](OCC)[CH2:5][N:6]([CH3:8])[CH3:7])C.Cl.[OH-].[K+].[Cl:15][C:16]1[CH:17]=[C:18]([NH:31][C:32]2[C:33]3[CH:41]=[C:40]([NH:42][C:43](=[O:53])[CH2:44]P(=O)(OCC)OCC)[N:39]=[CH:38][C:34]=3[N:35]=[CH:36][N:37]=2)[CH:19]=[CH:20][C:21]=1[O:22][CH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[C:26]([Cl:30])[CH:25]=1.[Li+].[Cl-]>O.C(Cl)Cl.CO.CC(N(C)C)=O.C1COCC1>[Cl:15][C:16]1[CH:17]=[C:18]([CH:19]=[CH:20][C:21]=1[O:22][CH2:23][C:24]1[CH:29]=[CH:28][CH:27]=[C:26]([Cl:30])[CH:25]=1)[NH:31][C:32]1[C:33]2[CH:41]=[C:40]([NH:42][C:43](=[O:53])/[CH:44]=[CH:4]/[CH2:5][N:6]([CH3:8])[CH3:7])[N:39]=[CH:38][C:34]=2[N:35]=[CH:36][N:37]=1 | 1 |
FC1=C(N[C@H](CN2N=NN=C2)C)C=C(C=C1)B1OC(C(O1)(C)C)(C)C.ClC=1C=CC=2N(N1)C(=CN2)C2=NC=CC(=C2C#N)OC>O.COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(=O)([O-])[O-].[Cs+].[Cs+]>FC1=C(C=C(C=C1)C=1C=CC=2N(N1)C(=CN2)C2=NC=CC(=C2C#N)OC)N[C@H](CN2N=NN=C2)C | 3 |
[OH:1][CH2:2][C:3]1[CH:18]=[CH:17][C:6]([CH2:7][NH:8][C:9]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][N:12]=2)=[O:10])=[CH:5][CH:4]=1.CCN(CC)CC.[CH3:26][S:27](Cl)(=[O:29])=[O:28]>>[N:12]1[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=1[C:9]([NH:8][CH2:7][C:6]1[CH:5]=[CH:4][C:3]([CH2:2][O:1][S:27]([CH3:26])(=[O:29])=[O:28])=[CH:18][CH:17]=1)=[O:10] | 1 |
[CH3:1]C(C)([O-])C.[K+].[Br:7][C:8]1[NH:9][C:10]([Br:16])=[C:11]([Br:15])[C:12]=1[C:13]#[N:14].CI.CCCCCC>C1COCC1.O.C(OCC)(=O)C>[CH3:1][N:9]1[C:10]([Br:16])=[C:11]([Br:15])[C:12]([C:13]#[N:14])=[C:8]1[Br:7] | 1 |
[NH2:1][CH2:2][CH2:3][C:4]([O:6][CH2:7][CH3:8])=[O:5].[C:9]([C:13]1[CH:18]=[CH:17][C:16]([N:19]=[C:20]=[O:21])=[CH:15][CH:14]=1)([CH3:12])([CH3:11])[CH3:10]>C(Cl)Cl>[C:9]([C:13]1[CH:18]=[CH:17][C:16]([NH:19][C:20]([NH:1][CH2:2][CH2:3][C:4]([O:6][CH2:7][CH3:8])=[O:5])=[O:21])=[CH:15][CH:14]=1)([CH3:12])([CH3:10])[CH3:11] | 2 |
ClC=1C(=CC(=NC1)F)B(O)O.FC(S(=O)(=O)OC1=NC(=C(C=C1)F)NCC1(CCOCC1)C)(F)F>>ClC=1C(=CC(=NC1)F)C1=NC(=C(C=C1)F)NCC1(CCOCC1)C | 5 |
[Si]([O:8][C:9]1[CH:10]=[C:11]([CH:17]2[N:20]([C:21]3[CH:26]=[C:25]([O:27][CH3:28])[C:24]([O:29][CH3:30])=[C:23]([O:31][CH3:32])[CH:22]=3)[C:19](=[O:33])[CH2:18]2)[CH:12]=[CH:13][C:14]=1[O:15][CH3:16])(C(C)(C)C)(C)C.C(=O)=O.[CH3:37][C:38](C)=[O:39].[Li+].CC([N-]C(C)C)C>C1COCC1.C(OCC)(=O)C>[OH:39][CH:38]([CH:18]1[CH:17]([C:11]2[CH:12]=[CH:13][C:14]([O:15][CH3:16])=[C:9]([OH:8])[CH:10]=2)[N:20]([C:21]2[CH:22]=[C:23]([O:31][CH3:32])[C:24]([O:29][CH3:30])=[C:25]([O:27][CH3:28])[CH:26]=2)[C:19]1=[O:33])[CH3:37] | 2 |
[OH:1][C:2]1[CH:17]=[CH:16][C:5]([C:6]([O:8][CH2:9][CH:10]([Cl:15])[CH:11]([CH3:14])[CH2:12][CH3:13])=[O:7])=[CH:4][CH:3]=1.N1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1>C1(C)C=CC=CC=1>[CH2:19]([O:1][C:2]1[CH:3]=[CH:4][C:5]([C:6]([O:1][C:2]2[CH:17]=[CH:16][C:5]([C:6]([O:8][CH2:9][CH:10]([Cl:15])[CH:11]([CH3:14])[CH2:12][CH3:13])=[O:7])=[CH:4][CH:3]=2)=[O:7])=[CH:16][CH:17]=1)[CH2:20][CH2:21][CH2:22][CH2:23][CH2:13][CH2:12][CH2:11][CH:10]=[CH2:9] | 1 |
BrC=1C=NC(=NC1)Cl.COC(=O)C1CNC1>C([O-])([O-])=O.[K+].[K+].CS(=O)C>COC(=O)C1CN(C1)C1=NC=C(C=N1)Br | 3 |
[NH2:1][N:2]1[CH:6]=[CH:5][N:4]=[C:3]1[C:7]([O:9]CC)=O.C(O)(=O)C.[CH:16](N)=[NH:17]>CCO>[N:1]1[N:2]2[CH:6]=[CH:5][N:4]=[C:3]2[C:7](=[O:9])[NH:17][CH:16]=1 | 2 |
[CH2:1]([N:3]([CH2:18][CH3:19])[S:4]([C:7]1[CH:12]=[CH:11][C:10]([O:13][CH3:14])=[C:9]([N:15]=[C:16]=[S:17])[CH:8]=1)(=[O:6])=[O:5])[CH3:2].COC1C=CC=CC=1NC([NH:31][C:32]1[C:40]2[N:39]=[CH:38][N:37]([CH3:41])[C:36]=2[CH:35]=[CH:34][CH:33]=1)=S>>[CH2:18]([N:3]([CH2:1][CH3:2])[S:4]([C:7]1[CH:12]=[CH:11][C:10]([O:13][CH3:14])=[C:9]([NH:15][C:16]([NH:31][C:32]2[C:40]3[N:39]=[CH:38][N:37]([CH3:41])[C:36]=3[CH:35]=[CH:34][CH:33]=2)=[S:17])[CH:8]=1)(=[O:5])=[O:6])[CH3:19] | 2 |
C(C1=CN=CC=C1)(=O)N>C(C(=O)Cl)(=O)Cl.ClCCCl>C(C1=CN=CC=C1)N=C=O | 3 |
C(#N)C1=CC=C(C=C1)N1C(=NC=2C=NC=CC21)C>CCO[H].[OH-].[Na+]>CC=1N(C2=C(C=NC=C2)N1)C1=CC=C(C(=O)O)C=C1 | 3 |
ClC=1C=C(C=CC1)N=C=O.NC=1C2=C(N=CN1)C(=CS2)C2=CC=C(C=C2)CCC(=O)OC>C1CCCO1>ClC=1C=C(C=CC1)NC(NC=1C2=C(N=CN1)C(=CS2)C2=CC=C(C=C2)C(C(=O)O)C)=O | 3 |
ClC1=C(C=CC(=C1)Cl)/C=C/C(=O)C1=CC=C(C=C1)OCC(CN1N=CN=C1)(O)C1=C(C=C(C=C1)F)F>>ClC1=C(C=CC(=C1)Cl)C1C(O1)C(=O)C1=CC=C(C=C1)OCC(CN1N=CN=C1)(O)C1=C(C=C(C=C1)F)F | 5 |
BrCCC1=CC=CC=C1.CC=1NC=CC1C(=O)OCC>N(C)(C)C=O.[H-].[Na+]>C(C)OC(=O)C1=C(N(C=C1)CCC1=CC=CC=C1)C | 3 |
CC([N:5]1[C:9]2[N:10]=[C:11](O)[CH:12]=[C:13]([C:14]([O:16][CH2:17]C)=[O:15])[C:8]=2[C:7]([CH3:20])=[N:6]1)(C)C.P(Cl)(Cl)([Cl:23])=O>>[Cl:23][C:11]1[CH:12]=[C:13]([C:14]([O:16][CH3:17])=[O:15])[C:8]2[C:7]([CH3:20])=[N:6][NH:5][C:9]=2[N:10]=1 | 1 |
[SH:1][C:2]1[NH:3][C:4]2[CH:10]=[C:9]([O:11][CH3:12])[CH:8]=[CH:7][C:5]=2[N:6]=1.O[CH2:14][C:15]1[C:16]2[N:17]([CH:21]=[CH:22][N:23]=2)[CH:18]=[CH:19][CH:20]=1>Br.C(O)(=O)C>[N:23]1[CH:22]=[CH:21][N:17]2[CH:18]=[CH:19][CH:20]=[C:15]([CH2:14][S:1][C:2]3[NH:6][C:5]4[CH:7]=[CH:8][C:9]([O:11][CH3:12])=[CH:10][C:4]=4[N:3]=3)[C:16]=12 | 1 |
Cl.C(C)(C)(C)N1C[C@H]([C@@H](C1)C1=C(C=C(C=C1)F)F)C(=O)O.Cl.ClC=1C=CC(=C(C1)[C@H](C)NC(C)=O)C1CCNCC1>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)N1C[C@H]([C@@H](C1)C1=C(C=C(C=C1)F)F)C(=O)N1CCC(CC1)C1=C(C=C(C=C1)Cl)[C@H](C)NC(C)=O | 3 |
NC=1C(=NC(=C(C1)C(F)(F)F)Br)C(=O)O.N(N)C([C@@H](C1=CC=CC=C1)NC(OCC1=CC=CC=C1)=O)=O>>NC=1C(=NC(=C(C1)C(F)(F)F)Br)C(=O)NNC([C@@H](C1=CC=CC=C1)NC(OCC1=CC=CC=C1)=O)=O | 5 |
N1CCC(C(=O)OCC)CC1.C(C)N=C=S>C1CCCO1>C(C)N=C(N1CCC(CC1)C(=O)OCC)SC | 3 |
FC1=CC=C(C=C1)C=1C=C2C(=NC=NC2=C(C1)OCC(=O)O)NCC=1N=NC(=CC1)C.N[C@H]1[C@H](CCC1)C(=O)OCC>C1CCCO1.C(C)(C)N(C(C)C)CC.C(=O)O.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)O[P+](N2CCCC2)(N2CCCC2)N2CCCC2>FC1=CC=C(C=C1)C=1C=C2C(=NC=NC2=C(C1)OCC(=O)N[C@H]1[C@H](CCC1)C(=O)OCC)NCC=1N=NC(=CC1)C | 3 |
Br[C:2]1[CH:3]=[C:4]2[NH:10][C:9]([C:11]3[CH:16]=[CH:15][CH:14]=[C:13]([O:17][CH3:18])[CH:12]=3)=[N:8][C:5]2=[N:6][CH:7]=1.[C:19]1(OB(O)O)[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1.C(=O)([O-])[O-].[Na+].[Na+].C1(C)C=CC=CC=1>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.O.C(OCC)(=O)C.O1CCCC1.O1CCCC1>[CH3:18][O:17][C:13]1[CH:12]=[C:11]([C:9]2[NH:10][C:4]3[C:5]([N:8]=2)=[N:6][CH:7]=[C:2]([C:19]2[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=2)[CH:3]=3)[CH:16]=[CH:15][CH:14]=1 | 1 |
[NH2:1][C@@H:2]1[CH2:8][CH2:7][CH2:6][CH2:5][N:4]([CH2:9][C:10]2[CH:15]=[CH:14][CH:13]=[C:12]([OH:16])[CH:11]=2)[C:3]1=[O:17].[O:18]=[C:19]1[N:28]([CH:29]2[CH2:34][CH2:33][N:32]([C:35](Cl)=[O:36])[CH2:31][CH2:30]2)[CH2:27][C:26]2[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=2)[NH:20]1>>[OH:16][C:12]1[CH:11]=[C:10]([CH:15]=[CH:14][CH:13]=1)[CH2:9][N:4]1[CH2:5][CH2:6][CH2:7][CH2:8][C@@H:2]([NH:1][C:35]([N:32]2[CH2:33][CH2:34][CH:29]([N:28]3[CH2:27][C:26]4[C:21](=[CH:22][CH:23]=[CH:24][CH:25]=4)[NH:20][C:19]3=[O:18])[CH2:30][CH2:31]2)=[O:36])[C:3]1=[O:17] | 1 |
FC(F)(F)CC=O.NC1=CC(=CC=2N(C=NC21)C2=CC(=C(C(=O)NC1CC1)C=C2)C)Br>>BrC=1C=C(C2=C(N(C=N2)C2=CC(=C(C(=O)NC3CC3)C=C2)C)C1)NCCC(F)(F)F | 5 |
FC1=C(C=O)C=CC=C1.NC1=C(CNC(C2=CC(=CC(=C2)Cl)N(S(=O)(=O)C)CC(N)=O)=O)C=CC(=C1)C#N>CO[H].[Cl-].[Zn+2].[Cl-].C(#N)[BH3-].[Na+]>C(N)(=O)CN(C=1C=C(C(=O)NCC2=C(C=C(C=C2)C#N)NCC2=C(C=CC=C2)F)C=C(C1)Cl)S(=O)(=O)C | 3 |
[CH3:1][N:2]([CH2:4][CH2:5][OH:6])[CH3:3].[CH2:7]([Cl:10])[CH:8]=[CH2:9]>O>[Cl-:10].[CH2:7]([N+:2]([CH3:3])([CH3:1])[CH2:4][CH2:5][OH:6])[CH:8]=[CH2:9] | 1 |
OC1=C(C(=O)OC)C=CC=C1NC(=O)C=1NC2=CC=CC=C2C1>O.C1(=CC=C(C=C1)S(=O)(=O)O)C.C1(=CC=C(C=C1)C)C.C2=C(C=CC=C2C)C.C3=CC=CC(=C3C)C>N1C(=CC2=CC=CC=C12)C=1OC2=C(N1)C=CC=C2C(=O)OC | 3 |
COC(C=P(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O.C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)N1C=NC=C1C=O>C1CCCO1>C1(=CC=CC=C1)C(N1C=NC=C1/C=C/C(=O)OC)(C1=CC=CC=C1)C1=CC=CC=C1 | 3 |
P(=O)(OC(C)(C)C)(OC(C)(C)C)OCN1C(C(CCC1=O)N1C(C2=CC=C(C=C2C1)CNC(C(C1=CC=C(C=C1)F)(F)F)=O)=O)=O>ClCCl.C(=O)(C(F)(F)F)O.C(C)(=O)OCC>P(=O)(OCN1C(C(CCC1=O)N1C(C2=CC=C(C=C2C1)CNC(C(C1=CC=C(C=C1)F)(F)F)=O)=O)=O)(O)O | 3 |
C(NC(C)C)(C)C.[Li]CCCC.[C:13]([O:17][C:18]([N:20]1[CH2:25][CH2:24][C:23](=[O:26])[C:22]([CH3:28])([CH3:27])[CH2:21]1)=[O:19])([CH3:16])([CH3:15])[CH3:14].[CH3:29][O:30][C:31](C#N)=[O:32]>C1COCC1.O.C1COCC1.O.[N+]([O-])([O-])=O.[Ag+].CC(O)=O>[CH3:29][O:30][C:31]([CH:24]1[C:23](=[O:26])[C:22]([CH3:28])([CH3:27])[CH2:21][N:20]([C:18]([O:17][C:13]([CH3:16])([CH3:14])[CH3:15])=[O:19])[CH2:25]1)=[O:32] | 2 |
Cl.NNC(=O)N.FC1=C(C=C2C=NN(C2=C1)C)C(C)C1=CN=C2N1N=C(C=C2)C(C)=O>CO[H]>FC1=C(C=C2C=NN(C2=C1)C)C(C)C1=CN=C2N1N=C(C=C2)\C(\C)=N\NC(=O)N | 3 |
[OH:1][C:2]1[CH:3]=[C:4]([CH2:8][C:9]([O:11][CH3:12])=[O:10])[CH:5]=[CH:6][CH:7]=1.[Br:13]Br>C(O)(=O)C>[Br:13][C:5]1[CH:6]=[CH:7][C:2]([OH:1])=[CH:3][C:4]=1[CH2:8][C:9]([O:11][CH3:12])=[O:10] | 2 |
P([O-])([O-])([O-])=O.[K+].[K+].[K+].Br[C:10]1[CH:11]=[C:12]2[C:17]([NH:18][C@@H:19]([C:21]3([F:24])[CH2:23][CH2:22]3)[CH3:20])=[C:16]([C:25]([NH2:27])=[O:26])[CH:15]=[N:14][N:13]2[CH:28]=1.[C:29]1(B(O)O)[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1.CC(C1C=C(C(C)C)C(C2C=CC=CC=2P(C2CCCCC2)C2CCCCC2)=C(C(C)C)C=1)C>O1CCOCC1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[F:24][C:21]1([C@H:19]([NH:18][C:17]2[C:12]3[N:13]([CH:28]=[C:10]([C:29]4[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=4)[CH:11]=3)[N:14]=[CH:15][C:16]=2[C:25]([NH2:27])=[O:26])[CH3:20])[CH2:23][CH2:22]1 | 1 |
C(C)C1=CC=CC=C1.C(C)OC(=O)C1CN(CCC1)C(=O)OC(C)(C)C.[N+](=O)([O-])C=CC=1C=NC=CC1>N(C)(C)C=O.C1CCCO1.CCCCCCC.C(C)(C)[N-]C(C)C.[Li+]>C(C)OC(=O)C1(CN(CCC1)C(=O)OC(C)(C)C)C(C[N+](=O)[O-])C=1C=NC=CC1 | 3 |
[C:1]([C:5]1[CH:10]=[CH:9][C:8]([S:11]([NH:14][C:15]2[N:20]=[C:19]([N:21]3[CH2:26][CH2:25][O:24][CH2:23][CH2:22]3)[N:18]=[C:17]([O:27][CH2:28][CH2:29][C:30]([OH:32])=O)[C:16]=2[O:33][C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][C:35]=2[O:40][CH3:41])(=[O:13])=[O:12])=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[CH:42]([C:45]1[CH:46]=[C:47]([CH:49]=[CH:50][CH:51]=1)[NH2:48])([CH3:44])[CH3:43]>>[CH:42]([C:45]1[CH:46]=[C:47]([NH:48][C:30](=[O:32])[CH2:29][CH2:28][O:27][C:17]2[C:16]([O:33][C:34]3[CH:39]=[CH:38][CH:37]=[CH:36][C:35]=3[O:40][CH3:41])=[C:15]([NH:14][S:11]([C:8]3[CH:7]=[CH:6][C:5]([C:1]([CH3:2])([CH3:4])[CH3:3])=[CH:10][CH:9]=3)(=[O:13])=[O:12])[N:20]=[C:19]([N:21]3[CH2:26][CH2:25][O:24][CH2:23][CH2:22]3)[N:18]=2)[CH:49]=[CH:50][CH:51]=1)([CH3:44])[CH3:43] | 1 |
[NH:1]([C:33]([O:35][CH2:36][CH:37]1[C:49]2[C:44](=[CH:45][CH:46]=[CH:47][CH:48]=2)[C:43]2[C:38]1=[CH:39][CH:40]=[CH:41][CH:42]=2)=[O:34])[C@H:2]([C:10]([N:12]([CH3:32])[C@H:13]([C:17]([NH:19][C@H:20]([C:29]([NH2:31])=[O:30])[CH2:21][C:22]1[CH:27]=[CH:26][C:25]([OH:28])=[CH:24][CH:23]=1)=[O:18])[CH:14]([CH3:16])[CH3:15])=[O:11])[CH2:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.O.[N+:51]([O-])([OH:53])=[O:52]>C(Cl)Cl.C(O)(=O)C>[NH:1]([C:33]([O:35][CH2:36][CH:37]1[C:38]2[C:43](=[CH:42][CH:41]=[CH:40][CH:39]=2)[C:44]2[C:49]1=[CH:48][CH:47]=[CH:46][CH:45]=2)=[O:34])[C@H:2]([C:10]([N:12]([CH3:32])[C@H:13]([C:17]([NH:19][C@H:20]([C:29]([NH2:31])=[O:30])[CH2:21][C:22]1[CH:27]=[CH:26][C:25]([OH:28])=[C:24]([N+:51]([O-:53])=[O:52])[CH:23]=1)=[O:18])[CH:14]([CH3:16])[CH3:15])=[O:11])[CH2:3][C:4]1[CH:5]=[CH:6][CH:7]=[CH:8][CH:9]=1 | 1 |
Cl[C:2]1[N:7]=[C:6]([NH:8][CH2:9][C:10]2[CH:15]=[CH:14][C:13]([F:16])=[CH:12][CH:11]=2)[CH:5]=[N:4][CH:3]=1.[NH:17]1[CH:21]=[CH:20][N:19]=[CH:18]1>>[F:16][C:13]1[CH:14]=[CH:15][C:10]([CH2:9][NH:8][C:6]2[CH:5]=[N:4][CH:3]=[C:2]([N:17]3[CH:21]=[CH:20][N:19]=[CH:18]3)[N:7]=2)=[CH:11][CH:12]=1 | 1 |
C(C)(C)(C)N.BrC1=CC=C(C=2CCCCC12)S(=O)(=O)Cl>>BrC1=CC=C(C=2CCCCC12)S(=O)(=O)NC(C)(C)C | 5 |
CNC(C1=CC=C(C=C1)B1OC(C(O1)(C)C)(C)C)=O.FC(S(=O)(=O)OC1=NC=2C(C(C(N(C2C=C1)C(C)=O)C1CC1)C)NC1=CC=CC=C1)(F)F>>C(C)(=O)N1C=2C=CC(=NC2[C@@H]([C@H]([C@@H]1C1CC1)C)NC1=CC=CC=C1)C1=CC=C(C(=O)NC)C=C1 | 5 |
[CH3:1][C:2]([C:4]1[CH:9]=[C:8]([OH:10])[CH:7]=[CH:6][C:5]=1[OH:11])=[O:3].N1C[CH2:15][CH2:14][CH2:13]1.CC(C)=O>C(#N)C>[CH3:13][C:14]1([CH3:15])[CH2:1][C:2](=[O:3])[C:4]2[C:5](=[CH:6][CH:7]=[C:8]([OH:10])[CH:9]=2)[O:11]1 | 1 |
[NH2:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([OH:8])=[O:7])=[CH:4][C:3]=1[Cl:11].OS(O)(=O)=O.[C:17]([O-])(O)=O.[Na+]>CO.ClCCl>[NH2:1][C:2]1[CH:10]=[CH:9][C:5]([C:6]([O:8][CH3:17])=[O:7])=[CH:4][C:3]=1[Cl:11] | 2 |
C(N(CC)CC)C.Cl.[NH2:9][CH:10]([C:19]1[CH:20]=[CH:21][C:22](=[O:28])[N:23]([CH:25]([CH3:27])[CH3:26])[N:24]=1)[C:11](=[O:18])[C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=1.Cl[C:30]([O:32][CH3:33])=[O:31].CCCCCC>C(Cl)Cl.CCOC(C)=O>[CH:25]([N:23]1[C:22](=[O:28])[CH:21]=[CH:20][C:19]([CH:10]([NH:9][C:30](=[O:31])[O:32][CH3:33])[C:11](=[O:18])[C:12]2[CH:13]=[CH:14][CH:15]=[CH:16][CH:17]=2)=[N:24]1)([CH3:26])[CH3:27] | 1 |
O=CC(C)=C.C(C1=CC=CC=C1)OC1=CC=C(C=C1)C(=C)C(=C)C1=CC=C(C=C1)OCC1=CC=CC=C1>>CC1(CC(=C(CC1)C1=CC=C(C=C1)OCC1=CC=CC=C1)C1=CC=C(C=C1)OCC1=CC=CC=C1)C=O | 5 |
C(CCC)(=O)Cl.C1(CCCC1)CC1(CCC2(CCNC2)CC1)N(C)C>>C(CCC)N1CCC2(C1)CCC(CC2)(CC2CCCC2)N(C)C | 5 |
ClCCN1C(NCC1)=O.COC=1C=C2CCN3C(C2=CC1OC)=CC(NC3=O)=NC3=C(C=C(C=C3C)C)C>CC(C)(C)[O-].[K+].C1CCCO1>COC=1C=C2CCN3C(C2=CC1OC)=CC(=NC3=O)N(C3=C(C=C(C=C3C)C)C)CCN3C(NCC3)=O | 3 |
FC(C(=O)OCC)(F)F.C(C)(C)(C)OC(=O)N1CC(CCC1)=O.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].C1CCOC1>>O=C1CN(CCC1C(C(F)(F)F)=O)C(=O)OC(C)(C)C | 5 |
BrC1=CC=C(C#N)C=C1.CNC(=O)C=1N=CC=2N(C1)C(=CN2)C2=CC=C(C=C2)C(F)(F)F>>C(#N)C1=CC=C(C=C1)N(C(=O)C=1N=CC=2N(C1)C(=CN2)C2=CC=C(C=C2)C(F)(F)F)C | 5 |
C(C)(=O)C=1C=CC(=NC1)Cl>c1cnc[nH]1>N1(C=NC=C1)C1=CC=C(C=N1)C(C)=O | 3 |
NC1=C(C(=NN1)NC=1C=NC=CC1)C(=O)N>>N1C(=CC=C1)C=NC1=C(C(=NN1)NC=1C=NC=CC1)C(=O)N | 5 |
[OH:1][CH:2]1[CH:6]([OH:7])[CH:5]([N:8]2[C:12]3[N:13]=[C:14]([S:27][CH3:28])[N:15]=[C:16]([NH:17][CH:18]4[CH2:20][CH:19]4[C:21]4[CH:26]=[CH:25][CH:24]=[CH:23][CH:22]=4)[C:11]=3[N:10]=[N:9]2)[CH2:4][CH:3]1[C:29]([NH:31][C:32]1C=CC=[CH:34][CH:33]=1)=[O:30].C(N)CC>>[OH:1][CH:2]1[CH:6]([OH:7])[CH:5]([N:8]2[C:12]3[N:13]=[C:14]([S:27][CH3:28])[N:15]=[C:16]([NH:17][CH:18]4[CH2:20][CH:19]4[C:21]4[CH:22]=[CH:23][CH:24]=[CH:25][CH:26]=4)[C:11]=3[N:10]=[N:9]2)[CH2:4][CH:3]1[C:29]([NH:31][CH2:32][CH2:33][CH3:34])=[O:30] | 1 |
[F:1][CH:2]([F:11])[O:3][C:4]1[CH:9]=[CH:8][C:7]([NH2:10])=[CH:6][CH:5]=1.P(=O)(O)(O)O.[N+]([O-])(O)=O.[N:21]([O-])=O.[Na+].[CH3:25][C:26](=[O:31])[CH2:27][C:28](=[O:30])[CH3:29].C([O-])(=O)C.[K+].C(=O)([O-])[O-].[Na+].[Na+]>C(O)C>[F:1][CH:2]([F:11])[O:3][C:4]1[CH:5]=[CH:6][C:7]([N:10]=[N:21][CH:27]([C:26](=[O:31])[CH3:25])[C:28](=[O:30])[CH3:29])=[CH:8][CH:9]=1 | 1 |
BrCC(=O)OC(C)C.FC=1C(=C(C#N)C(=CC1)O)NCC1=C(C=CC(=C1)C1=CC(=CC=C1)F)F>CC(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+]>C(#N)C1=C(OCC(=O)OC(C)C)C=CC(=C1NCC1=C(C=CC(=C1)C1=CC(=CC=C1)F)F)F | 3 |
C(O[C:6]([N:8]1[CH2:12][C:11](=[N:13][O:14][CH3:15])[CH2:10][C@H:9]1[C:16]([OH:18])=O)=[O:7])(C)(C)C.[Cl:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=1[C:26]1[CH:31]=[CH:30][C:29](C(O)=O)=[CH:28][CH:27]=1.[NH2:35][CH2:36][C@H:37]([C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=1)[OH:38]>>[OH:38][C@@H:37]([C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=1)[CH2:36][NH:35][C:16]([C@@H:9]1[CH2:10][C:11](=[N:13][O:14][CH3:15])[CH2:12][N:8]1[C:6]([C:29]1[CH:28]=[CH:27][C:26]([C:21]2[CH:22]=[CH:23][CH:24]=[CH:25][C:20]=2[Cl:19])=[CH:31][CH:30]=1)=[O:7])=[O:18] | 1 |
C(#N)C=1C=C2C=CNC2=CC1.C1[C@H](C)O1>CC#N.N(C)(C)C=O.O.[H-].[Na+]>O[C@H](CN1C=CC2=CC(=CC=C12)C#N)C | 3 |
C=1(C(=CC=CC1)S(=O)(=O)Cl)C.FC=1C=CC=C2C(C(N(C12)[C@H](CCO)C1=CC(=CC=C1)F)=O)(C)C>c1ccncc1>FC=1C=CC=C2C(C(N(C12)[C@H](CCNC)C1=CC(=CC=C1)F)=O)(C)C | 3 |
N(N)C(=O)OC(C)(C)C.C(C1=CC=CC=C1)(=O)C(C)C(C1=CC=CC=C1)=O>>C(C)(C)(C)OC(NN1C(=CC=C1C1=CC=CC=C1)C1=CC=CC=C1)=O | 5 |
[C:1]([O:5][C:6]([NH:8][CH2:9][CH:10]([C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1)[C:11]([OH:13])=O)=[O:7])([CH3:4])([CH3:3])[CH3:2].C(Cl)CCl.[CH:24]1[C:33]2[CH:32]=[CH:31][CH:30]=[C:29]([NH2:34])[C:28]=2[CH:27]=[CH:26][N:25]=1.CO.C(Cl)Cl>N1C=CC=CC=1.CN(C1C=CN=CC=1)C>[CH:24]1[C:33]2[C:28](=[C:29]([NH:34][C:11](=[O:13])[CH:10]([C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=3)[CH2:9][NH:8][C:6](=[O:7])[O:5][C:1]([CH3:2])([CH3:3])[CH3:4])[CH:30]=[CH:31][CH:32]=2)[CH:27]=[CH:26][N:25]=1 | 2 |
[F:1][C:2]1[CH:7]=[CH:6][C:5](B(O)O)=[CH:4][CH:3]=1.Cl.Br[C:13]1[CH:18]=[CH:17][N:16]=[CH:15][CH:14]=1.C(=O)([O-])[O-].[Na+].[Na+]>COCCOC>[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:13]2[CH:18]=[CH:17][N:16]=[CH:15][CH:14]=2)=[CH:4][CH:3]=1 | 1 |
C(C1=CC=CC=C1)N1CCC(CC1)N1CCN(CC1)C([C@@H](CC1=CC=2CCCCC2C=C1)NC(=O)N1CCC(CC1)N1C(NC2=C(CC1)C=CC=C2)=O)=O>CO[H].[HH].[HH].[Pd]>O=C([C@@H](CC1=CC=2CCCCC2C=C1)NC(=O)N1CCC(CC1)N1C(NC2=C(CC1)C=CC=C2)=O)N2CCN(CC2)C2CCNCC2 | 3 |
ClC=1C=C(C=CC1)N1CCNCC1.CC=1C=C(N(N1)C1=CC=CC=C1)C=O>CC#N.O.C(C)(=O)O.C(#N)[BH3-].[Na+]>ClC=1C=C(C=CC1)N1CCN(CC1)CC=1N(N=C(C1)C)C1=CC=CC=C1 | 3 |
[CH3:1][C:2]1([CH3:18])[CH:7]2[CH2:8][CH:3]1[CH2:4][CH2:5][CH:6]2[CH2:9][CH2:10][N:11]1[CH2:16][CH2:15][C:14](=O)[CH2:13][CH2:12]1.[F:19][C:20]1[CH:21]=[C:22]([CH:24]=[CH:25][CH:26]=1)[NH2:23].C[Si]([C:31]#[N:32])(C)C.N>C(O)(=O)C>[CH3:1][C:2]1([CH3:18])[CH:7]2[CH2:8][CH:3]1[CH2:4][CH2:5][CH:6]2[CH2:9][CH2:10][N:11]1[CH2:16][CH2:15][C:14]([NH:23][C:22]2[CH:24]=[CH:25][CH:26]=[C:20]([F:19])[CH:21]=2)([C:31]#[N:32])[CH2:13][CH2:12]1 | 1 |
[CH3:1][O:2][C:3]([C:5]1[S:6][C:7]([C:29]#[C:30][C:31]([CH3:34])([CH3:33])[CH3:32])=[CH:8][C:9]=1[N:10]([C@H:20]1[CH2:25][CH2:24][C@H:23]([N:26]=[N+:27]=[N-:28])[CH2:22][CH2:21]1)[C:11]([C@H:13]1[CH2:18][CH2:17][C@H:16]([CH3:19])[CH2:15][CH2:14]1)=[O:12])=[O:4].[CH3:35][Si:36]([C:39]#[CH:40])([CH3:38])[CH3:37]>>[CH3:1][O:2][C:3]([C:5]1[S:6][C:7]([C:29]#[C:30][C:31]([CH3:33])([CH3:32])[CH3:34])=[CH:8][C:9]=1[N:10]([C:11]([C@H:13]1[CH2:14][CH2:15][C@H:16]([CH3:19])[CH2:17][CH2:18]1)=[O:12])[C@H:20]1[CH2:25][CH2:24][C@H:23]([N:26]2[CH:40]=[C:39]([Si:36]([CH3:38])([CH3:37])[CH3:35])[N:28]=[N:27]2)[CH2:22][CH2:21]1)=[O:4] | 1 |
[N+](=O)([O-])C1=CC=C(C=C1)N=C=S.ClC1=NC=CC(=C1N)N>N(C)(C)C=O.C(C)(C)N=C=NC(C)C>ClC1=NC=CC2=C1NC(=N2)NC2=CC=C(C=C2)[N+](=O)[O-] | 3 |
CC(C)(C)C([O:5][C:6]1[CH:11]=[CH:10][C:9]([C:12]([C:31]2[CH:36]=[CH:35][C:34]([O:37]C(=O)C(C)(C)C)=[CH:33][CH:32]=2)=[C:13]([C:17]2[CH:22]=[CH:21][CH:20]=[C:19]([O:23][CH2:24][CH2:25][N:26]3[CH2:30][CH2:29][CH2:28][CH2:27]3)[CH:18]=2)[CH2:14][CH2:15][CH3:16])=[CH:8][CH:7]=1)=O.C1COCC1>CO>[N:26]1([CH2:25][CH2:24][O:23][C:19]2[CH:18]=[C:17]([C:13]([CH2:14][CH2:15][CH3:16])=[C:12]([C:31]3[CH:32]=[CH:33][C:34]([OH:37])=[CH:35][CH:36]=3)[C:9]3[CH:10]=[CH:11][C:6]([OH:5])=[CH:7][CH:8]=3)[CH:22]=[CH:21][CH:20]=2)[CH2:30][CH2:29][CH2:28][CH2:27]1 | 2 |
[C:1]([O:6][CH2:7][CH2:8]O)(=[O:5])[C:2](C)=[CH2:3].CC(CC)=[N:12]O>>[C:1]([OH:6])(=[O:5])[CH:2]=[CH2:3].[NH2:12][C:1]([O:6][CH2:7][CH3:8])=[O:5] | 1 |
C([O:4][CH2:5][C:6]1[C:7]([N:30]2[N:39]=[CH:38][C:37]3[C:32](=[C:33]([F:44])[CH:34]=[C:35]([C:40]([CH3:43])([CH3:42])[CH3:41])[CH:36]=3)[C:31]2=[O:45])=[N:8][CH:9]=[CH:10][C:11]=1[C:12]1[CH:17]=[C:16]([NH:18][C:19]2[CH:23]=[C:22]([CH:24]3[CH2:26][CH2:25]3)[N:21]([CH3:27])[N:20]=2)[C:15](=[O:28])[N:14]([CH3:29])[CH:13]=1)(=O)C.[OH-].[Li+]>C(O)(C)C.C1COCC1.O>[C:40]([C:35]1[CH:36]=[C:37]2[C:32](=[C:33]([F:44])[CH:34]=1)[C:31](=[O:45])[N:30]([C:7]1[C:6]([CH2:5][OH:4])=[C:11]([C:12]3[CH:17]=[C:16]([NH:18][C:19]4[CH:23]=[C:22]([CH:24]5[CH2:26][CH2:25]5)[N:21]([CH3:27])[N:20]=4)[C:15](=[O:28])[N:14]([CH3:29])[CH:13]=3)[CH:10]=[CH:9][N:8]=1)[N:39]=[CH:38]2)([CH3:43])([CH3:41])[CH3:42] | 1 |
C1C=C(Cl)C=C(C(OO)=O)C=1.[Br:12][C:13]1[C:18]([C:19]2[C:30]([CH3:31])=[N:29][C:22]3[N:23]=[C:24](SC)[N:25]=[CH:26][C:21]=3[CH:20]=2)=[CH:17][C:16]([NH:32][C:33]([NH:35][CH2:36][CH2:37][C:38]([CH3:41])([CH3:40])[CH3:39])=[O:34])=[C:15]([F:42])[CH:14]=1.[CH3:43][NH2:44].C1COCC1>C(Cl)Cl>[Br:12][C:13]1[C:18]([C:19]2[C:30]([CH3:31])=[N:29][C:22]3[N:23]=[C:24]([NH:44][CH3:43])[N:25]=[CH:26][C:21]=3[CH:20]=2)=[CH:17][C:16]([NH:32][C:33]([NH:35][CH2:36][CH2:37][C:38]([CH3:41])([CH3:40])[CH3:39])=[O:34])=[C:15]([F:42])[CH:14]=1 | 1 |
BrC(C)C1=CC(=C(C=C1)C(CN1N=CC(=CC1=O)OCC1=NC=C(C=C1)OC)=O)C>>CN(C(C)C1=CC(=C(C=C1)C(CN1N=CC(=CC1=O)OCC1=NC=C(C=C1)OC)=O)C)C | 5 |
FC1=CC2=C(N=C3C=CC=CC3=C2C=C1)C>>FC=1C=C2[C@@H](NC=3C=CC=CC3C2=CC1)C | 5 |
C[C@@H](C(=O)O)C=C.C[C@@H](C(=O)Cl)C=C>ClCCl.C(C(=O)Cl)(=O)Cl>CC(C(=O)Cl)C=C | 3 |
CN1N=CC=C1C(=O)O.FC(C1=C(C=CC=C1)C1=NC2=C(N1)C=C(C=C2)N)F>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>FC(C1=C(C=CC=C1)C1=NC2=C(N1)C=C(C=C2)NC(=O)C2=CC=NN2C)F | 3 |
ClC1=NC=NC2=CC(=C(C=C12)OC)OC.NC=1SC2=C(N1)C=CC(=C2)NC(=O)NC2=CC(=C(C=C2)Cl)C(F)(F)F>N(C)(C)C=O.O1CCOCC1>ClC1=C(C=C(C=C1)NC(=O)NC1=CC2=C(N=C(S2)NC2=NC=NC3=CC(=C(C=C23)OC)OC)C=C1)C(F)(F)F | 3 |
C1(=CC=CC2=CC=CC=C12)OCCCC1=C(NC2=C(C=CC=C12)B1OC(C(O1)(C)C)(C)C)C(=O)OCC.BrC=1C(=NN(C1CO)CCN1CCOCC1)C>C1CCCO1.C(C)(=O)OCC.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].Nc1ccccc1-c2ccccc2[Pd]Cl.Nc3ccccc3-c4ccccc4[Pd]Cl.CC(C)c5cc(C(C)C)c(-c6cccc(c6)P(C7CCCCC7)C8CCCCC8)c(c5)C(C)C.CC(C)c9cc(C(C)C)c(c(c9)C(C)C)-c%10ccccc%10P(C%11CCCCC%11)C%12CCCCC%12>OCC1=C(C(=NN1CCN1CCOCC1)C)C=1C=CC=C2C(=C(NC12)C(=O)OCC)CCCOC1=CC=CC2=CC=CC=C12 | 3 |
[Br:1][C:2]1[C:7]([CH3:8])=[CH:6][C:5](B2OC(C)(C)C(C)(C)O2)=[CH:4][C:3]=1[CH3:18].Br[C:20]1[CH:25]=[C:24]([CH3:26])[N:23]=[C:22]([CH3:27])[N:21]=1>>[Br:1][C:2]1[C:3]([CH3:18])=[CH:4][C:5]([C:20]2[CH:25]=[C:24]([CH3:26])[N:23]=[C:22]([CH3:27])[N:21]=2)=[CH:6][C:7]=1[CH3:8] | 1 |
NC1=C(C=C(C=C1)C(C(=O)OCC)C(=O)OCC)C(N(C)C)=O.C(C)(C)OC1=CC=C(C=C1)C=1C(=CC=CC1)C(=O)O>N(C)(C)C=O.C(C(=O)Cl)(=O)Cl.C(C)(C)N(C(C)C)CC.CC1OCCC1>CN(C(=O)C=1C=C(C=CC1NC(=O)C1=C(C=CC=C1)C1=CC=C(C=C1)OC(C)C)C(C(=O)OCC)C(=O)OCC)C | 3 |
C(#N)C=1C(=NC(=C(C1)NC1=NC=CC(=C1)C=C)C1CC1)N1C[C@H](N(CC1)C(=O)OC(C)(C)C)C(C)C>>C1(CC1)C1=NC(=C(C#N)C=C1NC1=NC=CC(=C1)C=C)N1C[C@H](NCC1)C(C)C | 5 |
Cl[C:2]1[C:11]2[C:6](=[C:7]([Cl:12])[CH:8]=[CH:9][CH:10]=2)[CH:5]=[C:4]([O:13][CH2:14][CH2:15][O:16][CH3:17])[N:3]=1.[F-:18].[Cs+]>CS(C)=O>[Cl:12][C:7]1[CH:8]=[CH:9][CH:10]=[C:11]2[C:6]=1[CH:5]=[C:4]([O:13][CH2:14][CH2:15][O:16][CH3:17])[N:3]=[C:2]2[F:18] | 1 |
C(C)OC(C(CC(C)C)C=1C=C(C=C(C1)N1C(CCCC1)CC1=C(C=CC=C1)C)C1=CC=C(C=C1)C(F)(F)F)=O>CO[H].[OH-].[Na+]>CC(CC(C(=O)O)C=1C=C(C=C(C1)N1C(CCCC1)CC1=C(C=CC=C1)C)C1=CC=C(C=C1)C(F)(F)F)C | 3 |
CN(C1(CCC(CC1)=O)C1=CC=CC=C1)C>>C(C)OC(C=C1CCC(CC1)(C1=CC=CC=C1)N(C)C)=O | 5 |
[C:1]([O:5][C:6]([NH:8][CH2:9][CH2:10][CH2:11][C@H:12]([NH:15][C:16](=[O:22])[O:17][C:18]([CH3:21])([CH3:20])[CH3:19])[CH2:13][OH:14])=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:23][S:24](Cl)(=[O:26])=[O:25].C(N(CC)CC)C>ClCCl>[CH3:23][S:24]([O:14][CH2:13][C@@H:12]([NH:15][C:16]([O:17][C:18]([CH3:21])([CH3:20])[CH3:19])=[O:22])[CH2:11][CH2:10][CH2:9][NH:8][C:6]([O:5][C:1]([CH3:3])([CH3:4])[CH3:2])=[O:7])(=[O:26])=[O:25] | 2 |
CC([N:5]([C@@H:9]1[CH2:14][CH2:13][CH2:12][N:11]([C:15]2[CH:20]=[C:19]([C:21]3[CH:26]=[CH:25][C:24]([C:27]#[N:28])=[C:23]([F:29])[CH:22]=3)[N:18]=[C:17]([NH:30][CH3:31])[N:16]=2)[CH2:10]1)C(=O)[O-])(C)C.[ClH:32].O1CCOCC1>>[ClH:32].[NH2:5][C@@H:9]1[CH2:14][CH2:13][CH2:12][N:11]([C:15]2[N:16]=[C:17]([NH:30][CH3:31])[N:18]=[C:19]([C:21]3[CH:26]=[CH:25][C:24]([C:27]#[N:28])=[C:23]([F:29])[CH:22]=3)[CH:20]=2)[CH2:10]1 | 1 |
ClC(C(=O)OCC)=O.ClC1=CC=C(C(C(=O)N)=C1)N>>ClC=1C=C2C(N=C(NC2=CC1)C(=O)OCC)=O | 5 |
Cl[Si](C)(C)C.N=C1N(C2=C(N1C(CO)CC=1C=NC(=CC1)OC)C=CC=C2)CC2=CC=C(C=C2)C>CC#N.[I-].[Na+].[Cl-].[NH4+]>OCC(CC=1C=CC(NC1)=O)N1C(N(C2=C1C=CC=C2)CC2=CC=C(C=C2)C)=N | 3 |
C(C)(=O)OCC1=NN2C(N=C(C=C2O)COC(C)=O)=N1>C(Cl)(Cl)(Cl)[H].CN(C1=CC=CC=C1)C.P(=O)(Cl)(Cl)Cl>C(C)(=O)OCC1(NN2C(N=C(C=C2O)COC(C)=O)=N1)C | 3 |
Cl.[CH:2]1([CH2:5][N:6]2[C:10]3[CH:11]=[CH:12][C:13]([C:15]4[CH:16]=[C:17]([CH2:21][NH2:22])[CH:18]=[CH:19][CH:20]=4)=[CH:14][C:9]=3[N:8]([CH3:23])[S:7]2(=[O:25])=[O:24])[CH2:4][CH2:3]1.[CH2:26](Cl)[CH2:27]Cl.[CH:30]1[CH:31]=CC2N([OH:39])N=N[C:34]=2[CH:35]=1.CCN([CH:46]([CH3:48])[CH3:47])C(C)C.C[N:50]1[C:54](=[O:55])[CH2:53][CH2:52][CH2:51]1>CO>[C:51]([C:52]1[CH:34]=[CH:35][CH:30]=[CH:31][C:53]=1[C:54]([NH:22][CH2:21][C:17]1[CH:18]=[CH:19][CH:20]=[C:15]([C:13]2[CH:12]=[CH:11][C:10]3[N:6]([CH2:5][CH:2]4[CH2:4][CH2:3]4)[S:7](=[O:24])(=[O:25])[N:8]([CH3:23])[C:9]=3[CH:14]=2)[CH:16]=1)=[O:55])#[N:50].[CH:2]1([CH2:5][N:6]2[C:10]3[CH:11]=[CH:12][C:13]([C:15]4[CH:16]=[C:17]([CH:18]=[CH:19][CH:20]=4)[CH2:21][N:22]4[C:27](=[O:39])[C:26]5[C:53](=[CH:52][CH:48]=[CH:46][CH:47]=5)[C:54]4=[O:55])=[CH:14][C:9]=3[N:8]([CH3:23])[S:7]2(=[O:24])=[O:25])[CH2:4][CH2:3]1 | 1 |
S(=O)(=O)(C)Cl.CC1(OCCO1)C1=CC(=CS1)CO>>ClCC=1C=C(SC1)C1(OCCO1)C | 5 |
[C:1]1([PH+:7]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)[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.[CH3:20][O:21][C:22]1[CH:23]=[C:24]([CH:27]=[C:28]([O:32][CH3:33])[C:29]=1[O:30][CH3:31])[CH2:25][Br:26]>C1(C)C=CC=CC=1>[Br-:26].[CH3:33][O:32][C:28]1[CH:27]=[C:24]([CH:23]=[C:22]([O:21][CH3:20])[C:29]=1[O:30][CH3:31])[CH2:25][P+:7]([C:1]1[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=1)([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:14]1[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1 | 1 |
Cl[CH2:2][C:3]([C:5]1[CH:10]=[CH:9][C:8]([OH:11])=[C:7]([F:12])[CH:6]=1)=[O:4].[CH2:13]1[C:22]2[C:17](=[CH:18][CH:19]=[C:20]([C:23]3([OH:29])[CH2:28][CH2:27][NH:26][CH2:25][CH2:24]3)[CH:21]=2)[CH2:16][CH2:15][O:14]1>>[CH2:13]1[C:22]2[C:17](=[CH:18][CH:19]=[C:20]([C:23]3([OH:29])[CH2:28][CH2:27][N:26]([CH2:2][C:3]([C:5]4[CH:10]=[CH:9][C:8]([OH:11])=[C:7]([F:12])[CH:6]=4)=[O:4])[CH2:25][CH2:24]3)[CH:21]=2)[CH2:16][CH2:15][O:14]1 | 2 |
CC(=O)CC(C)C.[Li]N(S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.[Br-].CC1(C(N(C2=CC=CC=C12)CCO)=CC=C1C(=C(CC1)C=CC1=[N+](C2=CC=CC=C2C1(C)C)CCO)Cl)C>>[N-](S(=O)(=O)C(F)(F)F)S(=O)(=O)C(F)(F)F.CC1(C(N(C2=CC=CC=C12)CCO)=CC=C1C(=C(CC1)C=CC1=[N+](C2=CC=CC=C2C1(C)C)CCO)Cl)C | 5 |
C(=O)(OC(C)(C)C)N1N=C(C(=C1)Br)C>>C(=O)(OC(C)(C)C)N1N=C(C(=C1)B1OC(C(O1)(C)C)(C)C)C | 5 |
[Na:1][Na].[SH:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[CH2:10][C:11]([OH:13])=[O:12]>CO>[SH:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][C:5]=1[CH2:10][C:11]([OH:13])=[O:12].[OH-:12].[Na+:1] | 1 |
C(C)SC1=C(C(=O)N(C2=NC=C(C=C2)C(C(F)(F)F)(F)F)C)C=CC(=C1)C(F)(F)F>>C(C)S(=O)(=O)C1=C(C(=O)N(C2=NC=C(C=C2)C(C(F)(F)F)(F)F)C)C=CC(=C1)C(F)(F)F | 5 |
CC1(C=2C=CC(=CC2C(CC1)(C)C)N)C>C1CCCO1.C(CCC)[Li]>C(CCC)NC1=CC=2C(CCC(C2C=C1)(C)C)(C)C | 3 |
[O:1]1[C:5]([C:6]2[CH:14]=[CH:13][C:12]3[NH:11][CH2:10][C@@H:9]4[CH2:15][C@H:16]([N:18]([CH2:22][CH2:23][CH3:24])[CH2:19][CH2:20][CH3:21])[CH2:17][C:7]=2[C:8]=34)=[CH:4][CH:3]=[N:2]1>C(Cl)Cl.O=[Mn]=O>[O:1]1[C:5]([C:6]2[CH:14]=[CH:13][C:12]3[NH:11][CH:10]=[C:9]4[CH2:15][C@H:16]([N:18]([CH2:22][CH2:23][CH3:24])[CH2:19][CH2:20][CH3:21])[CH2:17][C:7]=2[C:8]=34)=[CH:4][CH:3]=[N:2]1 | 1 |
C(C)OC=C[Sn](CCCC)(CCCC)CCCC.C[Si](CCOCN(C1=C(C(=NC=2N1N=CC2C=2C=NC(=CC2)C2=CC=CC=C2)OC2CCN(CC2)C(=O)OC(C)(C)C)Br)COCC[Si](C)(C)C)(C)C>O1CCOCC1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>C1(=CC=CC=C1)C1=CC=C(C=N1)C=1C=NN2C1N=C(C1=C2NC=C1)OC1CCNCC1 | 3 |
[N+:1]([C:4]1[CH:26]=[CH:25][C:7]([CH2:8][N:9]([CH2:15][C:16]2[CH:21]=[CH:20][C:19]([N+:22]([O-])=O)=[CH:18][CH:17]=2)[C@@H:10]2[CH2:14][CH2:13][O:12][CH2:11]2)=[CH:6][CH:5]=1)([O-])=O.[N+](C1C=CC(CN(CC2C=CC([N+]([O-])=O)=CC=2)C2C=CC=CC=2)=CC=1)([O-])=O>>[NH2:22][C:19]1[CH:18]=[CH:17][C:16]([CH2:15][N:9]([CH2:8][C:7]2[CH:25]=[CH:26][C:4]([NH2:1])=[CH:5][CH:6]=2)[C@@H:10]2[CH2:14][CH2:13][O:12][CH2:11]2)=[CH:21][CH:20]=1 | 1 |
[P:1](Cl)([O:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)([O:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1)=[O:2].N12CCCN=C1CCCCC2.[C:29]1([CH2:35][CH:36]=[O:37])[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1.O>C(Cl)Cl.CCOCC>[P:1]([O:10][C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)([O:3][C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1)([O:37][CH:36]=[CH:35][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)=[O:2] | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][CH2:11][CH2:10][CH:9]1CN(CC)C(=O)C(F)(F)F)=[O:7])([CH3:4])([CH3:3])[CH3:2]>CCO.[OH-].[Na+]>[C:1]([O:5][C:6]([N:8]1[CH2:9][CH2:10][CH:11]([CH2:6][NH:8][CH2:9][CH3:10])[CH2:12][CH2:13]1)=[O:7])([CH3:2])([CH3:3])[CH3:4] | 2 |
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