smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
C1(=CC=CC=C1)C1CCN(CC1)CC1CC(C2=C(CC1)C=CC=C2)=O>>Cl.C1(=CC=CC=C1)C1CCN(CC1)C[C@@H]1C[C@H](C2=C(CC1)C=CC=C2)O | 5 |
C(C)(C)(C)C1=C(C(=CC(=C1)C)C(C)(C)C)O>CO[H].C[O-].[Na+]>C(C)(C)(C)C1=C([O-])C(=CC(=C1)C)C(C)(C)C.[Na+] | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:6]=[CH:7][C:8]=1[CH3:9])[NH2:5].[CH:10]1([CH:16]=O)[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]1.C([BH3-])#N.[Na+]>CO>[Cl:1][C:2]1[CH:3]=[C:4]([CH:6]=[CH:7][C:8]=1[CH3:9])[NH:5][CH2:16][CH:10]1[CH2:15][CH2:14][CH2:13][CH2:12][CH2:11]1 | 1 |
[F:1][C:2]([F:21])([F:20])[C:3]1[CH:8]=[CH:7][N:6]=[C:5]([NH:9][C:10]([NH:12][CH:13]([CH2:17][CH:18]=[CH2:19])[C:14](O)=[O:15])=[O:11])[CH:4]=1.C(Cl)(=O)C(Cl)=O>>[CH2:17]([CH:13]1[NH:12][C:10](=[O:11])[N:9]([C:5]2[CH:4]=[C:3]([C:2]([F:21])([F:20])[F:1])[CH:8]=[CH:7][N:6]=2)[C:14]1=[O:15])[CH:18]=[CH2:19] | 2 |
[C:1]([C:5]1[CH:6]=[C:7]2[C:12](=[CH:13][CH:14]=1)[N:11]=[C:10]1[S:15][C:16]([C:18](O)=[O:19])=[CH:17][C:9]1=[CH:8]2)([CH3:4])([CH3:3])[CH3:2].[N:21]([CH2:24][CH:25]([NH2:32])[C:26]1[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=1)=[N+:22]=[N-:23].C(N(C(C)C)CC)(C)C>S(Cl)(Cl)=O.C(Cl)Cl.CN(C=O)C.C(Cl)Cl>[N:21]([CH2:24][C@@H:25]([NH:32][C:18]([C:16]1[S:15][C:10]2=[N:11][C:12]3[C:7]([CH:8]=[C:9]2[CH:17]=1)=[CH:6][C:5]([C:1]([CH3:2])([CH3:3])[CH3:4])=[CH:14][CH:13]=3)=[O:19])[C:26]1[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=1)=[N+:22]=[N-:23] | 2 |
CCO[CH:4]=[C:5]([C:11]([O:13]CC)=O)[C:6]([O:8][CH2:9][CH3:10])=[O:7].[F:16][C:17]1[CH:23]=[CH:22][C:20]([NH2:21])=[CH:19][CH:18]=1.C1(OC2C=CC=CC=2)C=CC=CC=1>>[F:16][C:17]1[CH:18]=[C:19]2[C:20](=[CH:22][CH:23]=1)[N:21]=[CH:4][C:5]([C:6]([O:8][CH2:9][CH3:10])=[O:7])=[C:11]2[OH:13] | 1 |
O1CCCC=C1.[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)OC[C@]1(C(C1)(F)F)CO>CC#N.C1(=CC=C(C=C1)S(=O)(=O)[O-])C.[NH+]1=CC=CC=C1>C(C)(C)(C)[Si](C1=CC=CC=C1)(C1=CC=CC=C1)OC[C@]1(C(C1)(F)F)COC1OCCCC1 | 3 |
[F:1][C:2]1[CH:3]=[C:4]([C:7]([OH:9])=O)[NH:5][CH:6]=1.[C:10]([O:14][C:15]([N:17]1[CH2:22][CH2:21][CH2:20][C@H:19]([C:23](=[NH:26])[NH:24]O)[CH2:18]1)=[O:16])([CH3:13])([CH3:12])[CH3:11].CCN=C=NCCCN(C)C.Cl.C1C=CC2N(O)N=NC=2C=1>O1CCOCC1>[C:10]([O:14][C:15]([N:17]1[CH2:22][CH2:21][CH2:20][C@H:19]([C:23]2[N:26]=[C:7]([C:4]3[NH:5][CH:6]=[C:2]([F:1])[CH:3]=3)[O:9][N:24]=2)[CH2:18]1)=[O:16])([CH3:13])([CH3:11])[CH3:12] | 2 |
CN1C(=NC=C1)C=O.COC(=O)C=1SC(=CC1N)C#CC(C)(C)C>>CC(C#CC1=CC(=C(S1)C(=O)OC)NCC=1N(C=CN1)C)(C)C | 5 |
O1C2C3CCC(C21)C3>O.S(O)(O)(=O)=O.CC(=O)C>OC1C2CCC(C1O)C2 | 3 |
N1C=C(C2=CC=CC=C12)CC(C1=NN=NN1)N(C(C(F)(F)F)=O)C1CCC(CC1)(C1=CC=CC=C1)N(C)C>>N1C=C(C2=CC=CC=C12)CC(C1=NN=NN1)NC1CCC(CC1)(N(C)C)C1=CC=CC=C1 | 5 |
[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[CH2:18][CH2:19][CH2:20][O:21][CH3:22])(=O)=O.C([O-])([O-])=O.[K+].[K+].O>CC#N>[CH3:22][O:21][CH2:20][CH2:19][CH2:18][N:10]1[C:11]2[C:7](=[CH:6][CH:5]=[C:4]([N+:1]([O-:3])=[O:2])[CH:12]=2)[CH:8]=[N:9]1 | 1 |
C(C=C)(=O)OC>>COC(=O)C1CN(CC1)CC1=CC=CC=C1 | 5 |
C(C)(=O)NO.BrC=1C=C(C(=NC1)C(=O)OC)C>C([O-])([O-])=O.[K+].[K+].CS(=O)C>OC=1C=C(C(=NC1)C(=O)OC)C | 3 |
ClC(=O)OC.NCC1=C(CNC=2C=3N(C=CC2)C(=C(N3)C)C)C(=CC=C1)C>>CC=1N=C2N(C=CC=C2NCC2=C(CNC(OC)=O)C=CC=C2C)C1C | 5 |
ClC1=C(C(=O)O)C(=CC=C1)F.C(CCC)N1C(N(C(C=2NC(=NC12)Cl)=O)CCCC/C(/NO)=N/[H])=O>CS(=O)C>C(CCC)N1C(N(C(C=2NC(=NC12)Cl)=O)CCCCC1=NOC(=N1)C1=C(C=CC=C1F)Cl)=O | 3 |
ClC=1C2=C(N=CN1)C(=C(N=C2)Cl)F.C(#N)C[C@@H]1N(CCNC1)C(=O)OC(C)(C)C>ClCCl.C(C)(C)N(C(C)C)CC>ClC1=C(C=2N=CN=C(C2C=N1)N1C[C@@H](N(CC1)C(=O)OC(C)(C)C)CC#N)F | 3 |
C(C#C)(=O)OC>C1CCCO1.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(CCC)[SnH](CCCC)CCCC>C(CCC)[Sn](C(C(=O)OC)=C)(CCCC)CCCC | 3 |
[CH3:1][CH:2]([O:4][C:5]1[CH:6]=[C:7]([CH:19]=[CH:20][C:21]=1[N+:22]([O-])=O)[O:8][C:9]1[CH:14]=[CH:13][C:12]([S:15]([CH3:18])(=[O:17])=[O:16])=[CH:11][N:10]=1)[CH3:3].[Cl-].[Ca+2].[Cl-].C(O)C>[Fe].O>[CH3:3][CH:2]([O:4][C:5]1[CH:6]=[C:7]([O:8][C:9]2[CH:14]=[CH:13][C:12]([S:15]([CH3:18])(=[O:16])=[O:17])=[CH:11][N:10]=2)[CH:19]=[CH:20][C:21]=1[NH2:22])[CH3:1] | 1 |
BrCC(=O)NC1=CC=C(C=C1)C(F)(F)F.BrC1=NN2C(NC(=C(C2=O)N2CCN(CC2)C(=O)OC(C)(C)C)C)=N1>N(C)(C)C=O.C(C)(C)N(C(C)C)CC>BrC1=NN2C(N(C(=C(C2=O)N2CCN(CC2)C(=O)OC(C)(C)C)C)CC(NC2=CC=C(C=C2)C(F)(F)F)=O)=N1 | 3 |
[Cl:1][CH2:2][CH2:3][C:4]1[C:5](=[O:19])[NH:6][C:7](=[O:18])[N:8]([CH:17]=1)[C@@H:9]1[O:16][C@H:13]([CH2:14]O)[C@@H:11]([OH:12])[CH2:10]1.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[N-:39]=[N+:40]=[N-:41].[Li+].C(Br)(Br)(Br)Br>CN(C)C=O.CO>[N:39]([CH2:14][C@H:13]1[O:16][C@@H:9]([N:8]2[CH:17]=[C:4]([CH2:3][CH2:2][Cl:1])[C:5](=[O:19])[NH:6][C:7]2=[O:18])[CH2:10][C@@H:11]1[OH:12])=[N+:40]=[N-:41] | 1 |
FC1=C(C(=CC(=C1I)F)NC)N>O.Cl.[OH-].[K+].N(=O)[O-].[Na+]>FC1=C(C(=CC=2N(N=NC21)C)F)I | 3 |
ClC1=C(C(=CC=C1)F)C#C.BrC1=NC(=NC=C1N)Cl>>ClC1=NC=C(C(=N1)C#CC1=C(C=CC=C1F)Cl)N | 5 |
[H-].[H-].[H-].[H-].[Li+].[Al+3].N#N.[N:9]1([CH:15]([CH3:20])[C:16](OC)=[O:17])[CH2:14][CH2:13][O:12][CH2:11][CH2:10]1.[OH-].[Na+]>O.C1COCC1>[N:9]1([CH:15]([CH3:20])[CH2:16][OH:17])[CH2:14][CH2:13][O:12][CH2:11][CH2:10]1 | 1 |
O=C1OCC2=CC(=CC=C12)CCN1CCC(CC1)C(=O)OC(C)(C)C>Cl.O1CCOCC1>O=C1OCC2=CC(=CC=C12)CCN1CCC(CC1)C(=O)O | 3 |
BrC=1C=C(C(=NC1)N)N.C(C)N(C=1SC(=CN1)C=O)CC>>BrC=1C=C2C(=NC1)NC(=N2)C2=CN=C(S2)N(CC)CC | 5 |
[CH3:1][CH2:2][C@@:3]1([OH:27])[C:8](=[O:9])[O:7][CH2:6][C:5]2[C:10]([N:12]3[C:24](=[CH:25][C:4]1=2)[C:23]1[N:22]=[C:21]2[C:16]([CH:17]=[C:18]([OH:26])[CH:19]=[CH:20]2)=[CH:15][C:14]=1[CH2:13]3)=[O:11].C(O)C.[CH2:31]=O.[CH3:33][NH:34][CH3:35]>CC(OCC1C2C(=CC=CC=2)C(COC(C)=O)=C2C=1C=CC=C2)=O>[CH3:1][CH2:2][C@@:3]1([OH:27])[C:8](=[O:9])[O:7][CH2:6][C:5]2[C:10]([N:12]3[C:24](=[CH:25][C:4]1=2)[C:23]1[N:22]=[C:21]2[C:16](=[CH:15][C:14]=1[CH2:13]3)[C:17]([CH2:33][N:34]([CH3:31])[CH3:35])=[C:18]([OH:26])[CH:19]=[CH:20]2)=[O:11] | 1 |
C(CC(=O)C)(=O)OCC.CN.C1CCOC1>O.II>CC1=NOC(=C1C(=O)OCC)C1=CC=NC=C1 | 3 |
[Br:1][C:2]1[N:7]=[C:6]([CH3:8])[N:5]=[C:4]([NH:9][C:10]2[S:11][C:12]([C:15]([OH:17])=O)=[CH:13][N:14]=2)[CH:3]=1.CCOC(C1(C(OCC)=O)NC(=O)CC1C1C=CC=CC=1)=O.[Cl:40][C:41]1[CH:47]=[CH:46][CH:45]=[C:44]([CH3:48])[C:42]=1[NH2:43].C(N(CC)CC)C.C(=O)(O)[O-].[Na+]>C(Cl)Cl>[Br:1][C:2]1[N:7]=[C:6]([CH3:8])[N:5]=[C:4]([NH:9][C:10]2[S:11][C:12]([C:15]([NH:43][C:42]3[C:44]([CH3:48])=[CH:45][CH:46]=[CH:47][C:41]=3[Cl:40])=[O:17])=[CH:13][N:14]=2)[CH:3]=1 | 1 |
C(C)(C)C1=NC=CC=C1O>c1ccncc1.C(O)([O-])=O.[Na+].FC(S(=O)(=O)OS(=O)(=O)C(F)(F)F)(F)F>FC(S(=O)(=O)OC=1C(=NC=CC1)C(C)C)(F)F | 3 |
N1=C(C=CC=C1)C=O.C(C)OP(=O)(OCC)C(C(=O)OCC)F>C1CCCO1.[H-].[Na+].[Cl-].[NH4+]>F\C(\C(=O)OCC)=C\C1=NC=CC=C1 | 3 |
[Cl:1][C:2]1[CH:9]=[C:8]([O:10][CH2:11][C:12]2[N:13]=[C:14]([CH3:17])[S:15][CH:16]=2)[CH:7]=[C:6]([F:18])[C:3]=1[CH2:4][OH:5].[C:19]([O:23][C:24]([N:26]1[CH2:31][CH2:30][N:29]([C:32](Cl)=[O:33])[C@H:28]([CH2:35][CH3:36])[CH2:27]1)=[O:25])([CH3:22])([CH3:21])[CH3:20]>>[Cl:1][C:2]1[CH:9]=[C:8]([O:10][CH2:11][C:12]2[N:13]=[C:14]([CH3:17])[S:15][CH:16]=2)[CH:7]=[C:6]([F:18])[C:3]=1[CH2:4][O:5][C:32]([N:29]1[CH2:30][CH2:31][N:26]([C:24]([O:23][C:19]([CH3:21])([CH3:20])[CH3:22])=[O:25])[CH2:27][C@H:28]1[CH2:35][CH3:36])=[O:33] | 1 |
[CH3:1][CH2:2][C:3]1[CH2:22][N:20]2[CH2:21][C@@H:5]([CH2:6][C@:7]([C:56]([O:58][CH3:59])=[O:57])([C:23]3[CH:24]=[C:25]4[C@:33]56[C@@H:37]7[C@:38]([CH2:53][CH3:54])([C@@H:42]([O:49][C:50]([CH3:52])=[O:51])[C@:43]([OH:48])([C:44]([O:46][CH3:47])=[O:45])[C@@H:32]5[N:31]([CH3:55])[C:26]4=[CH:27][C:28]=3[O:29][CH3:30])[CH:39]=[CH:40][CH2:41][N:36]7[CH2:35][CH2:34]6)[C:8]3[NH:16][C:15]4[CH:14]=[CH:13][C:12]([Cl:17])=[CH:11][C:10]=4[C:9]=3[CH2:18][CH2:19]2)[CH:4]=1.Cl.C(C[OH:66])(F)(F)F.[BH4-].[Na+]>O.O.O.O.O.O.O.C([O-])(=O)C([O-])=O.[Fe+3].C([O-])(=O)C([O-])=O.C([O-])(=O)C([O-])=O.[Fe+3].CCOC(C)=O.CO.CCN(CC)CC>[CH3:1][CH2:2][C@@:3]1([OH:66])[CH2:22][N:20]2[CH2:21][C@@H:5]([CH2:6][C@:7]([C:56]([O:58][CH3:59])=[O:57])([C:23]3[CH:24]=[C:25]4[C@:33]56[C@@H:37]7[C@:38]([CH2:53][CH3:54])([C@@H:42]([O:49][C:50]([CH3:52])=[O:51])[C@:43]([OH:48])([C:44]([O:46][CH3:47])=[O:45])[C@@H:32]5[N:31]([CH3:55])[C:26]4=[CH:27][C:28]=3[O:29][CH3:30])[CH:39]=[CH:40][CH2:41][N:36]7[CH2:35][CH2:34]6)[C:8]3[NH:16][C:15]4[CH:14]=[CH:13][C:12]([Cl:17])=[CH:11][C:10]=4[C:9]=3[CH2:18][CH2:19]2)[CH2:4]1 | 1 |
C(#N)C=1C=C(C=CC1)N1CCNCC1.ClCCCCN1C=NC2=C1C=CC=C2>CC#N.C(C)(C)N(C(C)C)CC.[I-].[K+]>C(#N)C=1C=C(C=CC1)N1CCN(CC1)CCCCN1C=NC2=C1C=CC=C2 | 3 |
ClC=1C=C(CN(C(OCC2=CC(=CC=C2)Cl)=O)[C@H](C(=O)N[C@H](CO)CC2C(NC3(C2)CCOCC3)=O)CC3CCCCC3)C=CC1>C(C)(=O)OCC.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>ClC=1C=C(CN(C([O-])=O)[C@H](C(N[C@H](C=O)CC2C(NC3(C2)CCOCC3)=O)=O)CC3CCCCC3)C=CC1 | 4 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([Cl:8])=[CH:4][C:3]=1[C:9]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=O.[CH3:17][O:18][C:19](=[O:28])[CH2:20][C:21](=O)[CH2:22][C:23]([F:26])([F:25])[F:24].[O-]S(C(F)(F)F)(=O)=O.[Yb+3].[O-]S(C(F)(F)F)(=O)=O.[O-]S(C(F)(F)F)(=O)=O>C(O)C>[CH3:17][O:18][C:19]([C:20]1[C:21]([CH2:22][C:23]([F:24])([F:26])[F:25])=[N:1][C:2]2[C:3]([C:9]=1[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1)=[CH:4][C:5]([Cl:8])=[CH:6][CH:7]=2)=[O:28] | 1 |
C1(C[C:8]([O:10][CH:11]2CCCCO2)=[O:9])C=CC=CC=1.[C:17]1([C:23]2([C:29]([OH:31])=[O:30])[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]2)[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1>>[CH3:11][O:10][C:8]([C:20]1[CH:21]=[CH:22][C:17]([C:23]2([C:29]([OH:31])=[O:30])[CH2:28][CH2:27][CH2:26][CH2:25][CH2:24]2)=[CH:18][CH:19]=1)=[O:9].[CH3:11][O:10][C:8]([C:20]1[CH:19]=[CH:18][C:17]([CH2:23][C:29]([OH:31])=[O:30])=[CH:22][CH:21]=1)=[O:9] | 1 |
[CH3:1][O:2][C:3]1[CH:7]=[C:6]([C:8]([OH:10])=O)[O:5][N:4]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[NH2:35][C@H:36]([CH2:45][C:46]1[CH:51]=[CH:50][C:49]([C:52]2[CH:57]=[C:56]([Cl:58])[CH:55]=[CH:54][C:53]=2[F:59])=[CH:48][CH:47]=1)[CH2:37][C@:38]([CH2:43][OH:44])([CH3:42])[C:39]([OH:41])=[O:40].CCN(C(C)C)C(C)C>CN(C=O)C>[Cl:58][C:56]1[CH:55]=[CH:54][C:53]([F:59])=[C:52]([C:49]2[CH:48]=[CH:47][C:46]([CH2:45][C@@H:36]([NH:35][C:8]([C:6]3[O:5][N:4]=[C:3]([O:2][CH3:1])[CH:7]=3)=[O:10])[CH2:37][C@:38]([CH2:43][OH:44])([CH3:42])[C:39]([OH:41])=[O:40])=[CH:51][CH:50]=2)[CH:57]=1 | 1 |
C[O:2][C:3](=[O:30])[CH:4]([C:24]1[S:25][C:26](Br)=[CH:27][CH:28]=1)[NH:5][C:6]([C:8]1[C:9](=[O:23])[N:10]([CH2:14][C:15]2[CH:20]=[CH:19][C:18]([F:21])=[C:17]([F:22])[CH:16]=2)[CH:11]=[CH:12][CH:13]=1)=[O:7].[C:31]1([S:37]([N:40]2[C:44]3=[N:45][CH:46]=[CH:47][CH:48]=[C:43]3[C:42](B3OC(C)(C)C(C)(C)O3)=[CH:41]2)(=[O:39])=[O:38])[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=1.O1CCOCC1.C(=O)([O-])[O-].[Na+].[Na+]>O.C(Cl)Cl.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:31]1([S:37]([N:40]2[C:44]3=[N:45][CH:46]=[CH:47][CH:48]=[C:43]3[C:42]([C:26]3[S:25][C:24]([CH:4]([NH:5][C:6]([C:8]4[C:9](=[O:23])[N:10]([CH2:14][C:15]5[CH:20]=[CH:19][C:18]([F:21])=[C:17]([F:22])[CH:16]=5)[CH:11]=[CH:12][CH:13]=4)=[O:7])[C:3]([OH:2])=[O:30])=[CH:28][CH:27]=3)=[CH:41]2)(=[O:39])=[O:38])[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=1 | 2 |
NC1=NC=C(C=N1)B1OC(C(O1)(C)C)(C)C.ClC=1N=C(C2=C(N1)C=CS2)N2[C@H](COCC2)C>>C[C@H]1COCCN1C=1C2=C(N=C(N1)C=1C=NC(=NC1)N)C=CS2 | 5 |
NCC1OCCO1.ClCC=1N=C2N(C=CC(=C2)C(F)(F)F)C1>>O1C(OCC1)CNCC=1N=C2N(C=CC(=C2)C(F)(F)F)C1 | 5 |
[F:1][C:2]1[CH:7]=[C:6]([N+:8]([O-:10])=[O:9])[CH:5]=[CH:4][C:3]=1[CH3:11].BrN1C(=O)CCC1=O.[NH:20]1[CH2:25][CH2:24][O:23][CH2:22][CH2:21]1>C(OOC(=O)C1C=CC=CC=1)(=O)C1C=CC=CC=1.C(OCC)(=O)C>[F:1][C:2]1[CH:7]=[C:6]([N+:8]([O-:10])=[O:9])[CH:5]=[CH:4][C:3]=1[CH2:11][N:20]1[CH2:25][CH2:24][O:23][CH2:22][CH2:21]1 | 2 |
FC(C=1C=C(C=CC1)/C=C/C=1SC(=CN1)CO)(F)F>C(C)(=O)OCC.I(=O)(=O)C1=C(C(=O)O)C=CC=C1>FC(C=1C=C(C=CC1)/C=C/C=1SC(=CN1)C=O)(F)F | 3 |
[NH:1]1[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]=[CH:2]1.[H-].[Na+].I[CH2:13][C:14]([NH2:16])=[O:15]>CN(C=O)C>[N:1]1([CH2:13][C:14]([NH2:16])=[O:15])[C:9]2[C:4](=[CH:5][CH:6]=[CH:7][CH:8]=2)[CH:3]=[CH:2]1 | 1 |
[CH2:1]([NH:8][C:9]([N:11]1[CH2:16][CH2:15][C:14](=[O:17])[N:13]2[C@@H:18]([CH2:35][C:36]3[CH:41]=[CH:40][C:39]([OH:42])=[CH:38][CH:37]=3)[C:19](=[O:34])[N:20]([CH2:23][C:24]3[C:33]4[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=4)[CH:27]=[CH:26][CH:25]=3)[C@@H:21]([CH3:22])[CH:12]12)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.C1COCC1.[C:48](Cl)(=[O:60])[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59].C(N(CC)CC)C>C(OCC)(=O)C>[C:48]([O:42][C:39]1[CH:40]=[CH:41][C:36]([CH2:35][C@@H:18]2[N:13]3[C:14](=[O:17])[CH2:15][CH2:16][N:11]([C:9](=[O:10])[NH:8][CH2:1][C:2]4[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=4)[CH:12]3[C@H:21]([CH3:22])[N:20]([CH2:23][C:24]3[C:33]4[C:28](=[CH:29][CH:30]=[CH:31][CH:32]=4)[CH:27]=[CH:26][CH:25]=3)[C:19]2=[O:34])=[CH:37][CH:38]=1)(=[O:60])[CH2:49][CH2:50][CH2:51][CH2:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH3:59] | 1 |
C1(CCCCC1)C(=O)Cl.CC=1C(=NOC1C(F)(F)F)C=1SC=CC1>>C1(CCCCC1)C(=O)C=1SC(=CC1)C1=NOC(=C1C)C(F)(F)F | 5 |
[OH:1][C:2]1[CH:3]=[C:4]([C:15](=[O:18])[CH2:16][CH3:17])[C:5](=[O:14])[O:6][C:7]=1[CH:8]([CH3:13])[CH2:9][CH2:10][CH2:11][OH:12].[Na].C([O-])(O)=O.[Na+]>ClCCl.N1C=CC=CC=1>[OH:1][C:2]1[CH:3]=[C:4]([C:15](=[O:18])[CH2:16][CH3:17])[C:5](=[O:14])[O:6][C:7]=1[CH:8]([CH3:13])[CH2:9][CH2:10][CH:11]=[O:12] | 1 |
[O:1]1[CH:6]=[CH:5][CH2:4][CH2:3][CH:2]1[C:7]([O-:9])=[O:8].[Na+].[CH2:11](I)[CH3:12].C(=O)([O-])[O-].[Na+].[Na+].CN(C)C=O>O>[O:1]1[CH:6]=[CH:5][CH2:4][CH2:3][CH:2]1[C:7]([O:9][CH2:11][CH3:12])=[O:8] | 1 |
FC(S(=O)(=O)O[Si](C)(C)C(C)(C)C)(F)F.N[C@@H](CO)C=C>ClCCl.C(C)(C)N(C(C)C)CC>[Si](C)(C)(C(C)(C)C)OC[C@@H](C=C)N | 3 |
C(O)(=O)C[C:3]1[C:4](=CC=C(C=1)O)[OH:5].[CH3:13][O:14][C:15]1[CH:20]=[CH:19][C:18]([O:21][CH3:22])=[CH:17][CH:16]=1.C(Cl)(=O)C.[Cl-].[Al+3].[Cl-].[Cl-]>>[CH3:3][C:4]([C:19]1[CH:20]=[C:15]([O:14][CH3:13])[CH:16]=[CH:17][C:18]=1[O:21][CH3:22])=[O:5] | 1 |
[CH:1]([OH:3])=[O:2].[Cl:4][C:5]1[CH:6]=[C:7]2[C:12](=[CH:13][CH:14]=1)[CH:11]=[C:10]([S:15]([N:18]([C@H:30]1[CH2:34][CH2:33][N:32]([C@@H:35]([CH3:49])[C:36](=[O:48])[N:37]3[CH2:41][CH2:40][CH2:39][C@H:38]3[CH2:42][N:43]3[CH2:47][CH2:46][CH2:45][CH2:44]3)[C:31]1=[O:50])[CH2:19][C:20]([O:22]CC1C=CC=CC=1)=[O:21])(=[O:17])=[O:16])[CH:9]=[CH:8]2.C(=O)([O-])[O-].[K+].[K+].O>CO>[CH:1]([OH:3])=[O:2].[Cl:4][C:5]1[CH:6]=[C:7]2[C:12](=[CH:13][CH:14]=1)[CH:11]=[C:10]([S:15]([N:18]([CH:30]1[CH2:34][CH2:33][N:32]([CH:35]([CH3:49])[C:36](=[O:48])[N:37]3[CH2:41][CH2:40][CH2:39][CH:38]3[CH2:42][N:43]3[CH2:47][CH2:46][CH2:45][CH2:44]3)[C:31]1=[O:50])[CH2:19][C:20]([OH:22])=[O:21])(=[O:16])=[O:17])[CH:9]=[CH:8]2 | 2 |
C(C)(C)(C)OC(=O)N1C(CC1)C(=O)O>>OCC1N(CC1)C(=O)OC(C)(C)C | 5 |
ClC1=NC(=CC=C1C=O)Cl.NCC(COC(C)C)O>CO[H].ClCCl.C(C)(=O)O.C(#N)[BH3-].[Na+]>ClC1=NC(=CC=C1CNCC(COC(C)C)O)Cl | 3 |
CS(=O)(=O)C(CNC(OC(C)(C)C)=O)CNC(OC(C)(C)C)=O>>FC(C(=O)O)(F)F.FC(C(=O)O)(F)F.CS(=O)(=O)C(CN)CN | 5 |
C(C)(C)(C)C=1C=C(C=CC1OC(F)F)C=1C(=NC=CC1)OC>>C(C)C1=NC(=CC=C1)OC | 5 |
[NH2:1][C@H:2]([C:7]([CH:9]([CH2:13][CH2:14][CH2:15][C@H:16]1[C@@H:24]2[C@@H:19]([NH:20][C:21]([NH:23]2)=[O:22])[CH2:18][S:17]1)[C:10](=[O:12])[OH:11])=[O:8])C(C)(C)C.FC(F)(F)C(O)=O>>[NH2:1][CH2:2][C:7]([CH:9]([CH2:13][CH2:14][CH2:15][C@H:16]1[C@@H:24]2[C@@H:19]([NH:20][C:21]([NH:23]2)=[O:22])[CH2:18][S:17]1)[C:10](=[O:11])[OH:12])=[O:8] | 2 |
[CH2:1]([O:3][C:4](=[O:24])[C:5]([N:7]([CH2:16][C:17]1[CH:22]=[CH:21][C:20](Br)=[CH:19][CH:18]=1)[CH2:8][C:9]1[CH:14]=[CH:13][C:12]([F:15])=[CH:11][CH:10]=1)=[O:6])[CH3:2].[CH:25]#[C:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36]>>[CH2:1]([O:3][C:4](=[O:24])[C:5]([N:7]([CH2:16][C:17]1[CH:22]=[CH:21][C:20]([C:25]#[C:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])=[CH:19][CH:18]=1)[CH2:8][C:9]1[CH:14]=[CH:13][C:12]([F:15])=[CH:11][CH:10]=1)=[O:6])[CH3:2] | 1 |
C(=C)C(=O)C.BrC=1C=C(N)C=CC1>>BrC1=CC=C2C(=CC=NC2=C1)C | 5 |
C([O:3][C:4]([C:6]1([NH:15][C:16]([CH:18]2[CH2:22][C:21]3[CH:23]=[CH:24][CH:25]=[CH:26][C:20]=3[O:19]2)=[O:17])[CH2:14][C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH2:7]1)=[O:5])C.O1CCOCC1.CO.O[Li].O>CC(O)C.C(Cl)Cl.O>[O:19]1[C:20]2[CH:26]=[CH:25][CH:24]=[CH:23][C:21]=2[CH2:22][CH:18]1[C:16]([NH:15][C:6]1([C:4]([OH:5])=[O:3])[CH2:14][C:13]2[C:8](=[CH:9][CH:10]=[CH:11][CH:12]=2)[CH2:7]1)=[O:17] | 1 |
[CH3:1][C:2]1[CH:3]=[C:4]([CH:8]=[C:9]([C:11]2[O:19][C:18]3[C:13](=[N:14][CH:15]=[CH:16][C:17]=3[C:20]3[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=3)[CH:12]=2)[CH:10]=1)[C:5](O)=[O:6].Cl.CN(C)CCCN=C=NCC.CN1CCOCC1.[NH2:45][C:46]([CH3:50])([CH3:49])[CH2:47][OH:48]>CN(C)C=O.O>[OH:48][CH2:47][C:46]([NH:45][C:5](=[O:6])[C:4]1[CH:8]=[C:9]([C:11]2[O:19][C:18]3[C:13](=[N:14][CH:15]=[CH:16][C:17]=3[C:20]3[CH:21]=[CH:22][CH:23]=[CH:24][CH:25]=3)[CH:12]=2)[CH:10]=[C:2]([CH3:1])[CH:3]=1)([CH3:50])[CH3:49] | 1 |
[CH3:1][O:2][CH2:3][CH2:4][O:5][CH2:6]Cl.[C:8]([O:12][C:13]([N:15]1[CH2:20][CH2:19][CH:18]([OH:21])[CH2:17][CH2:16]1)=[O:14])([CH3:11])([CH3:10])[CH3:9].C(N(C(C)C)CC)(C)C>O1CCCC1>[C:8]([O:12][C:13]([N:15]1[CH2:20][CH2:19][CH:18]([O:21][CH2:6][O:5][CH2:4][CH2:3][O:2][CH3:1])[CH2:17][CH2:16]1)=[O:14])([CH3:11])([CH3:9])[CH3:10] | 1 |
CC1(OB(OC1(C)C)C1=CC=C(N)C=C1)C.C(=O)(O)C=1N=CSC1>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>CC1(OB(OC1(C)C)C1=CC=C(C=C1)NC(=O)C=1N=CSC1)C | 3 |
CC1=CC(=NC=C1)CC(=O)OC>CC#N.C1CCC2=NCCCN2CC1.C(C)(=O)NC1=CC=C(C=C1)S(=O)(=O)N=[N+]=[N-]>CC1=CC=2N(C=C1)N=NC2C(=O)OC | 3 |
[C:1]([C:5]1[N:9]([CH2:10][CH:11]2[CH2:16][CH2:15][C:14]([F:18])([F:17])[CH2:13][CH2:12]2)[C:8]2[CH:19]=[CH:20][C:21]([S:23](Cl)(=[O:25])=[O:24])=[CH:22][C:7]=2[N:6]=1)([CH3:4])([CH3:3])[CH3:2].[NH:27]1[CH2:32][CH2:31][CH2:30][C@H:29]([C:33]([O:35][CH2:36][CH3:37])=[O:34])[CH2:28]1.CCN(C(C)C)C(C)C>ClCCCl>[C:1]([C:5]1[N:9]([CH2:10][CH:11]2[CH2:16][CH2:15][C:14]([F:18])([F:17])[CH2:13][CH2:12]2)[C:8]2[CH:19]=[CH:20][C:21]([S:23]([N:27]3[CH2:32][CH2:31][CH2:30][C@H:29]([C:33]([O:35][CH2:36][CH3:37])=[O:34])[CH2:28]3)(=[O:25])=[O:24])=[CH:22][C:7]=2[N:6]=1)([CH3:4])([CH3:3])[CH3:2] | 2 |
C(C)(C)(C)OC(NCCCC#C)=O.BrC=1C=NC=C(C1)[N+](=O)[O-]>>[N+](=O)([O-])C=1C=C(C=NC1)C#CCCCNC(OC(C)(C)C)=O | 5 |
[C:1]1([C:7]2[N:12]=[N:11][C:10]([NH2:13])=[CH:9][CH:8]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C(=O)([O-])O.[Na+].[Br:19]Br>CO>[Br:19][C:9]1[CH:8]=[C:7]([C:1]2[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=2)[N:12]=[N:11][C:10]=1[NH2:13] | 2 |
C1(CC1)N.C(=O)(OCC)N1CC(C(CC1)=O)C>CO[H].C(#N)[BH3-].[Na+]>C(=O)(OCC)N1CC(C(CC1)NC1CC1)C | 3 |
[F:1][C:2]1[CH:10]=[CH:9][C:5]([CH2:6][CH2:7][NH2:8])=[CH:4][CH:3]=1.[C:11](Cl)(=O)[CH3:12]>>[F:1][C:2]1[CH:10]=[C:9]2[C:5]([CH2:6][CH2:7][NH:8][CH:11]2[CH3:12])=[CH:4][CH:3]=1 | 1 |
O=C[C@@H](O)[C@@H](O)[C@H](O)[C@H](O)CO>>C1=CC=C(C=C1)COC2C(C(C(C(O2)CO)O)O)O | 5 |
[NH2:1][C:2]1[CH:9]=[CH:8][C:7](B2OC(C)(C)C(C)(C)O2)=[CH:6][C:3]=1[C:4]#[N:5].O.O.P([O-])([O-])([O-])=O.[K+].[K+].[K+].Br[C:30]1[N:35]=[C:34]2[N:36]([CH2:45][CH2:46][N:47]3[CH2:52][CH2:51][CH2:50][CH2:49][CH2:48]3)[N:37]=[C:38]([C:39]3[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=3)[C:33]2=[C:32]([C:53]([F:56])([F:55])[F:54])[CH:31]=1.ClCCl.CCCCC>COCCOC.O.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>[NH2:1][C:2]1[CH:9]=[CH:8][C:7]([C:30]2[N:35]=[C:34]3[N:36]([CH2:45][CH2:46][N:47]4[CH2:52][CH2:51][CH2:50][CH2:49][CH2:48]4)[N:37]=[C:38]([C:39]4[CH:44]=[CH:43][CH:42]=[CH:41][CH:40]=4)[C:33]3=[C:32]([C:53]([F:54])([F:55])[F:56])[CH:31]=2)=[CH:6][C:3]=1[C:4]#[N:5] | 2 |
Br[C:2]1[CH:6]=[C:5]([CH2:7][CH3:8])[S:4][C:3]=1[CH2:9][CH3:10].[Li]CCCC.CN([CH:19]=[O:20])C>CCOCC>[CH2:9]([C:3]1[S:4][C:5]([CH2:7][CH3:8])=[CH:6][C:2]=1[CH:19]=[O:20])[CH3:10] | 1 |
C1(=CC=CC=C1)S(=O)(=O)Cl.COC(C1=C(C=CC(=C1)C[C@@H](C(NCC1=CC=C(C=C1)OC)=O)N)OCC(=O)OC)=O>ClCCl.c1ccncc1>COC(C1=C(C=CC(=C1)C[C@@H](C(NCC1=CC=C(C=C1)OC)=O)NS(=O)(=O)C1=CC=CC=C1)OCC(=O)OC)=O | 3 |
[CH3:1][O:2][C:3]1[C:8]2=[CH:9][CH:10]=[C:11]3[C:20]([N:19]=[C:18]4[C:13]([CH:14]=[CH:15][CH:16]=[C:17]4[C:21]([OH:23])=O)=[N:12]3)=[C:7]2[CH:6]=[CH:5][CH:4]=1.Cl.[CH3:25][N:26]([CH3:32])[CH2:27][CH:28]([NH2:31])[CH2:29][CH3:30]>C(N(CC)CC)C>[CH3:25][N:26]([CH2:27][CH:28]([NH:31][C:21]([C:17]1[C:18]2[C:13](=[N:12][C:11]3[C:20]([N:19]=2)=[C:7]2[CH:6]=[CH:5][CH:4]=[C:3]([O:2][CH3:1])[C:8]2=[CH:9][CH:10]=3)[CH:14]=[CH:15][CH:16]=1)=[O:23])[CH2:29][CH3:30])[CH3:32] | 2 |
ClC1=C(C=C2C(C(=CN(C2=C1)C1CC1)C(=O)O)=O)F.C(C)(C)(C)OC(=O)N[C@@H]1CNC[C@@H]1C>CC#N.C1CCC2=NCCCN2CC1>N[C@@H]1CN(C[C@@H]1C)C1=C(C=C2C(C(=CN(C2=C1)C1CC1)C(=O)O)=O)F | 3 |
C(C)OP(OCC)(=O)CNC1=NC2=C(C=C(C=C2C=C1)[N+](=O)[O-])C1=CC=CC2=CC=CC=C12>C1CCCO1.CO[H].[Ni]>C(C)OP(OCC)(=O)CNC1=NC2=C(C=C(C=C2C=C1)N)C1=CC=CC2=CC=CC=C12 | 3 |
[CH2:1]([O:3][C:4]1[O:5][C@H:6]2[C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[CH2:9][C@H:7]2[N:8]=1)[CH3:2].[CH2:16]([O:23][C:24]1[CH:29]=[CH:28][C:27]([OH:30])=[CH:26][CH:25]=1)[C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1>C1(C)C=CC=CC=1.C(OCC)C.C1(C)C=CC(S(O)(=O)=O)=CC=1>[CH2:16]([O:23][C:24]1[CH:25]=[CH:26][C:27]([O:30][C@@H:6]2[C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[CH2:9][C@H:7]2[NH:8][C:4]([O:3][CH2:1][CH3:2])=[O:5])=[CH:28][CH:29]=1)[C:17]1[CH:18]=[CH:19][CH:20]=[CH:21][CH:22]=1 | 1 |
FC1(CC(C1)O)F.FC1(CCC(OC1)C1=NC=CC(=C1NC(C1=CN=C(C(=C1)F)F)=O)C1=NC=CC=C1F)F>N(C)(C)C=O.[H-].[Na+]>FC1(CC(C1)OC1=NC=C(C(=O)NC=2C(=NC=CC2C2=NC=CC=C2F)C2OCC(CC2)(F)F)C=C1F)F | 3 |
C(OC([N:8]1[CH2:12][CH2:11][CH:10]([CH:13]([OH:18])[CH2:14][CH2:15][S:16][CH3:17])[CH2:9]1)=O)(C)(C)C.[H-].[Na+].[Cl:21][C:22]1[CH:27]=[CH:26][CH:25]=[C:24](F)[C:23]=1[Cl:29].CCO>CN(C=O)C.Cl>[Cl:21][C:22]1[C:23]([Cl:29])=[CH:24][CH:25]=[CH:26][C:27]=1[O:18][CH:13]([CH:10]1[CH2:11][CH2:12][NH:8][CH2:9]1)[CH2:14][CH2:15][S:16][CH3:17] | 1 |
C(C)(=O)OC(C)=O.NCC=1C=CC(=C(C1)CO)CN([C@@H](C)C1=NC=CC=C1)CC1=NC=CC=C1C>>OCC=1C=C(CNC(C)=O)C=CC1CN(C(C)C1=NC=CC=C1)CC1=NC=CC=C1C | 5 |
[OH:1][C:2]1[CH:31]=[CH:30][C:5]([CH2:6][N:7]2[C:15]3[C:10](=[CH:11][C:12]([CH:16]=[C:17]4[S:21][C:20]([N:22]5[CH2:27][CH2:26][N:25]([CH3:28])[CH2:24][CH2:23]5)=[N:19][C:18]4=[O:29])=[CH:13][CH:14]=3)[CH:9]=[N:8]2)=[C:4]([C:32]([F:35])([F:34])[F:33])[CH:3]=1.CCN(C(C)C)C(C)C.[CH3:45][S:46](Cl)(=[O:48])=[O:47]>C(Cl)Cl>[CH3:28][N:25]1[CH2:26][CH2:27][N:22]([C:20]2[S:21][C:17](=[CH:16][C:12]3[CH:11]=[C:10]4[C:15](=[CH:14][CH:13]=3)[N:7]([CH2:6][C:5]3[CH:30]=[CH:31][C:2]([O:1][S:46]([CH3:45])(=[O:48])=[O:47])=[CH:3][C:4]=3[C:32]([F:35])([F:34])[F:33])[N:8]=[CH:9]4)[C:18](=[O:29])[N:19]=2)[CH2:23][CH2:24]1 | 1 |
OB1OCC2=C1C=CC(=C2)OC2=NC=C(C#N)C(=C2)OCCOC2OCCCC2>>OB1OCC2=C1C=CC(=C2)OC2=NC=C(C#N)C(=C2)OCCO | 5 |
C(C)OC(NCC1=C(C=CC=C1)P(=O)(C)OCC)=O>C(Cl)(Cl)(Cl)Cl.P(Cl)(Cl)(Cl)(Cl)Cl>CP1(N(CC2=C1C=CC=C2)C(=O)OCC)=O | 3 |
N1=CN=CN=C1.OC1=CC=C(C(C(=O)O)=C1)N>CO[H].N1CCCCC1>OC=1C=C2C(NC=NC2=CC1)=O | 3 |
BrCCCCl.C(C)OC1=C(C=C(C=O)C=C1)O>>ClCCCOC=1C=C(C=O)C=CC1OCC | 5 |
CS(=O)(=O)OCC1CCC2=CC(C(=C(N12)C(NCC1=CC=C(C=C1)F)=O)OC)=O>>BrC=1C(C(=C2N3C(CCC13)CN(C2=O)CC2=CC=C(C=C2)F)OC)=O | 5 |
C(C1=CC=CC=C1)OC1=C(C=CC(=C1)F)[N+](=O)[O-].C(C)(=O)N1CCNCC1>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)OC=1C=C(C=CC1[N+](=O)[O-])N1CCN(CC1)C(C)=O | 3 |
C(C1=CC=CC=C1)NCC=C>N(C)(C)C=O.CCN(CC)CC.F[P-](F)(F)(F)(F)F.CN(C)C(=[N+]1N=[N+](C2=NC=CC=C21)[O-])N(C)C.FC(C(=O)O)=C>C(C=C)N(C(C(=C)F)=O)CC1=CC=CC=C1 | 3 |
[C:1]1(=[N:7][OH:8])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[OH-].[Na+].[CH:11]1([N:17]=[C:18]=[N:19][CH:20]2[CH2:25][CH2:24][CH2:23][CH2:22][CH2:21]2)[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]1>C1COCC1.ClCCl>[CH:20]1([NH:19][C:18](=[N:17][CH:11]2[CH2:16][CH2:15][CH2:14][CH2:13][CH2:12]2)[O:8][N:7]=[C:1]2[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]2)[CH2:21][CH2:22][CH2:23][CH2:24][CH2:25]1 | 1 |
[NH:1]1[C:9]2[CH:8]=[CH:7][CH:6]=[C:5]([CH:10]=O)[C:4]=2[CH:3]=[CH:2]1.[CH3:12][NH2:13].[BH4-].[Na+].O>CO>[NH:1]1[C:9]2[C:4](=[C:5]([CH2:10][NH:13][CH3:12])[CH:6]=[CH:7][CH:8]=2)[CH:3]=[CH:2]1 | 1 |
[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[O:8][C:7]([CH3:13])([CH3:12])[CH2:6][C@H:5]2[NH:14][C:15]([NH:17][C:18]1[CH:26]=[CH:25][CH:24]=[C:23]2[C:19]=1[CH:20]=[N:21][NH:22]2)=[O:16].F[C:28]1C=C2C(=CC=1)OC(C)(C)C[C@H]2NC(NC1C2C[C@@H](O)CCC=2C=CC=1)=O>>[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[O:8][C:7]([CH3:12])([CH3:13])[CH2:6][C@H:5]2[NH:14][C:15]([NH:17][C:18]1[CH:26]=[CH:25][CH:24]=[C:23]2[C:19]=1[CH:20]=[N:21][N:22]2[CH3:28])=[O:16] | 2 |
[CH:1]1([NH2:7])[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[N:8]([C:17]([CH3:23])([CH3:22])[C:18]([O:20]C)=O)=[N:9][C:10]([CH3:16])([CH3:15])[C:11]([O:13]C)=O.C[O-].[Na+].O>CO>[N:9]([C:10]([CH3:15])([CH3:16])[C:11]([NH:7][CH:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1)=[O:13])=[N:8][C:17]([CH3:23])([CH3:22])[C:18]([NH:7][CH:1]1[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1)=[O:20] | 1 |
I[C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][N:12]=1)[N:6]=[CH:5]2.[CH3:17][C@H:18]([NH2:27])[C@H:19]([OH:26])[C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1.C(#N)CCC.C(=O)([O-])[O-].[Cs+].[Cs+]>[Cu]I>[CH3:17][CH:18]([NH2:27])[CH:19]([C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][CH:21]=1)[O:26][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[N:7]([C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][N:12]=1)[N:6]=[CH:5]2 | 1 |
C(C=1C(S)=CC=CC1)(=O)OC.N1(CCOCC1)C=1C=C(C#N)C=CN1>C1(=CC=CC=C1)C.CCN(CC)CC>N1(CCOCC1)C1=NC=CC(=C1)C=1SC2=C(C(N1)=O)C=CC=C2 | 3 |
O.[NH2:2][NH2:3].[C:4]([O:8][C:9]([NH:11][C@@H:12]1[CH2:17][CH2:16][CH2:15][N:14]([C:18]2[NH:22][N:21]=[C:20]([C:23](OC)=[O:24])[C:19]=2[CH2:27][C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=2[Cl:34])[CH2:13]1)=[O:10])([CH3:7])([CH3:6])[CH3:5]>C(=O)([O-])[O-].[K+].[K+]>[Cl:34][C:29]1[CH:30]=[CH:31][CH:32]=[CH:33][C:28]=1[CH2:27][C:19]1[C:20]([C:23]([NH:2][NH2:3])=[O:24])=[N:21][NH:22][C:18]=1[N:14]1[CH2:15][CH2:16][CH2:17][C@@H:12]([NH:11][C:9](=[O:10])[O:8][C:4]([CH3:5])([CH3:6])[CH3:7])[CH2:13]1 | 2 |
C(C1=CC=CC=C1)(=O)OCC1=CC(=NC(=C1)C(C)(C)C)C(C)(C)C>CO[H].[H-].[Na+].[Cl-].[NH4+]>OCC1=CC(=NC(=C1)C(C)(C)C)C(C)(C)C | 3 |
ClC1=NC=C(C=C1)C(F)(F)F.CC1=CC=C(C(=N1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1CO)OCCC>C1CCCO1.[H-].[Na+]>Cl.CC1=CC=C(C(=N1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1COC1=NC=C(C=C1)C(F)(F)F)OCCC.CC1=CC=C(C(=N1)C(=O)N1C[C@@H]2C[C@@H]2C[C@H]1COC1=NC=C(C=C1)C(F)(F)F)OCCC | 3 |
C(C)(C)(C)OC(=O)N1CC(OCC1)C(=O)O.CNCC=1C=CC=2SCC(NC2N1)=O>>CN(C(=O)C1CN(CCO1)C(=O)OC(C)(C)C)CC=1C=CC=2SCC(NC2N1)=O | 5 |
[CH3:1][C:2]([C:5]1[CH:6]=[C:7]([CH2:15][CH:16]=[O:17])[CH:8]=[C:9]([C:11]([CH3:14])([CH3:13])[CH3:12])[CH:10]=1)([CH3:4])[CH3:3].[BH4-].[Na+]>C(O)C.O>[CH3:14][C:11]([C:9]1[CH:8]=[C:7]([CH2:15][CH2:16][OH:17])[CH:6]=[C:5]([C:2]([CH3:4])([CH3:3])[CH3:1])[CH:10]=1)([CH3:12])[CH3:13] | 1 |
C(C=C)OC/C=C/C1=CC(=CC=C1)OCC1=CC=CC=C1>>C(C1=CC=CC=C1)OC1=CC(=CC=C1)\C=C\CO\C=C\C | 5 |
[CH3:1][O:2][C:3](=[O:17])[CH:4]=[C:5]([C:7]1[CH:8]=[CH:9][C:10]2[N:11]([C:13](I)=[CH:14][N:15]=2)[CH:12]=1)[CH3:6].C(=O)([O-])[O-].[Na+].[Na+].[CH2:24]([O:26][C:27]1[C:32]([CH:33]([CH3:35])[CH3:34])=[CH:31][C:30]([CH:36]([CH3:38])[CH3:37])=[CH:29][C:28]=1B(O)O)[CH3:25]>C1(C)C=CC=CC=1.[Cl-].[Na+].O.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:17])[CH:4]=[C:5]([C:7]1[CH:8]=[CH:9][C:10]2[N:11]([C:13]([C:28]3[CH:29]=[C:30]([CH:36]([CH3:38])[CH3:37])[CH:31]=[C:32]([CH:33]([CH3:35])[CH3:34])[C:27]=3[O:26][CH2:24][CH3:25])=[CH:14][N:15]=2)[CH:12]=1)[CH3:6] | 1 |
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