smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
Br[C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:12][N:11]=[C:10]([CH3:13])[C:9]=2[CH2:14][C:15]([N:17]2[CH2:25][C:24]3[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=3)[CH2:18]2)=[O:16])=[CH:4][CH:3]=1.[CH2:26]([O:28][C:29]([C:31]1([C:34]2[CH:39]=[CH:38][C:37](B3OC(C)(C)C(C)(C)O3)=[CH:36][CH:35]=2)[CH2:33][CH2:32]1)=[O:30])[CH3:27]>>[CH2:26]([O:28][C:29]([C:31]1([C:34]2[CH:39]=[CH:38][C:37]([C:2]3[CH:3]=[CH:4][C:5]([C:8]4[O:12][N:11]=[C:10]([CH3:13])[C:9]=4[CH2:14][C:15]([N:17]4[CH2:25][C:24]5[C:19](=[CH:20][CH:21]=[CH:22][CH:23]=5)[CH2:18]4)=[O:16])=[CH:6][CH:7]=3)=[CH:36][CH:35]=2)[CH2:32][CH2:33]1)=[O:30])[CH3:27] | 1 |
BrC1=C(CC2(CC2)N(C(OC(C)(C)C)=O)C)C=CC(=C1F)Cl>C1CCCO1.C(CCC)[Li].COB(OC)OC>C(C)(C)(C)OC(=O)N(C1(CC1)CC1=CC=C(C(=C1B(O)O)F)Cl)C | 3 |
C1(=CC=CC=C1)SC>CC#N.[O].CN(C)c1ccc2c(c1)sc-3cc(=[N+](C)C)ccc3n2.[Cl-]>C1(=CC=CC=C1)S(=O)C | 3 |
ClC=1N=NC(=CC1C(C)C)OC1=C(C=C(C=C1Cl)B1OC(C(O1)(C)C)(C)C)Cl.BrC=1C(NC(N(N1)C)=O)=O>O.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]>ClC=1C=C(C=C(C1OC=1N=NC(=C(C1)C(C)C)Cl)Cl)C=1C(NC(N(N1)C)=O)=O | 3 |
CC1=CC=C(C)C=C1.ClCC(=O)Cl>[Al](Cl)(Cl)Cl>ClCC(=O)C1=C(C=CC(=C1)C)C | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]2[C:13](=[CH:14][CH:15]=1)[C:12](Cl)=[C:11]1[C:6]([CH:7]=[CH:8][C:9]([O:17][CH3:18])=[CH:10]1)=[N:5]2.[CH3:19][N:20]1[CH2:25][CH2:24][N:23]([CH2:26][CH2:27][NH2:28])[CH2:22][CH2:21]1>>[Cl:1][C:2]1[CH:3]=[C:4]2[C:13](=[CH:14][CH:15]=1)[C:12]([NH:28][CH2:27][CH2:26][N:23]1[CH2:24][CH2:25][N:20]([CH3:19])[CH2:21][CH2:22]1)=[C:11]1[C:6]([CH:7]=[CH:8][C:9]([O:17][CH3:18])=[CH:10]1)=[N:5]2 | 1 |
[Cl:1][C:2]1[C:3]2[N:12]([C:13]3[C:18]([F:19])=[CH:17][CH:16]=[CH:15][C:14]=3[F:20])[N:11]=[C:10]([C:21]3[CH:29]=[CH:28][C:24]([C:25]([OH:27])=O)=[CH:23][CH:22]=3)[C:4]=2[C:5]([O:8][CH3:9])=[N:6][CH:7]=1.[NH2:30][CH2:31][CH2:32][OH:33].C(N(CC)CC)C.O>CN(C=O)C>[Cl:1][C:2]1[C:3]2[N:12]([C:13]3[C:14]([F:20])=[CH:15][CH:16]=[CH:17][C:18]=3[F:19])[N:11]=[C:10]([C:21]3[CH:22]=[CH:23][C:24]([C:25]([NH:30][CH2:31][CH2:32][OH:33])=[O:27])=[CH:28][CH:29]=3)[C:4]=2[C:5]([O:8][CH3:9])=[N:6][CH:7]=1 | 1 |
C(C1=CC=CC=C1)NCC(=C)C.[O-]P1(=O)OP(=O)(OP(=O)(OP(=O)(O1)[O-])[O-])[O-].[Na+].[Na+].[Na+].[Na+].ClC1=CC=CC2=C1CC2C(=O)O>>C(C1=CC=CC=C1)N(C(=O)C1CC2=C1C=CC=C2Cl)CC(=C)C | 5 |
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([Br:8])=[CH:4][C:3]=1[OH:9].[CH2:10](C(CC)(CC)C([O-])([O-])[O-])[CH3:11]>C(O)(=O)C>[Br:8][C:5]1[CH:6]=[CH:7][C:2]2[N:1]=[C:10]([CH3:11])[O:9][C:3]=2[CH:4]=1 | 2 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:13][CH2:12][NH:11][CH2:10][C:9]2=[O:14])=[C:4]([CH3:15])[CH:3]=1.CCN(C(C)C)C(C)C.[Cl:25][C:26]1[C:34]([Cl:35])=[CH:33][CH:32]=[CH:31][C:27]=1[C:28](Cl)=[O:29].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>ClCCl>[Cl:25][C:26]1[C:34]([Cl:35])=[CH:33][CH:32]=[CH:31][C:27]=1[C:28]([N:11]1[CH2:12][CH2:13][N:8]([C:5]2[CH:6]=[CH:7][C:2]([F:1])=[CH:3][C:4]=2[CH3:15])[C:9](=[O:14])[CH2:10]1)=[O:29] | 2 |
[Cl-].[CH2:2]([Zn+])[C:3]([CH3:6])([CH3:5])[CH3:4].[F:8][C:9]1[CH:10]=[C:11]([CH:37]=[C:38]([F:40])[CH:39]=1)[CH2:12][C@H:13]([NH:29][C:30](=[O:36])[O:31][C:32]([CH3:35])([CH3:34])[CH3:33])[C@H:14]([OH:28])[CH2:15][NH:16][C@@H:17]1[C:26]2[C:21](=[CH:22][CH:23]=[C:24](I)[CH:25]=2)[O:20][CH2:19][CH2:18]1>C1COCC1.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]>[F:8][C:9]1[CH:10]=[C:11]([CH:37]=[C:38]([F:40])[CH:39]=1)[CH2:12][C@H:13]([NH:29][C:30](=[O:36])[O:31][C:32]([CH3:34])([CH3:35])[CH3:33])[C@H:14]([OH:28])[CH2:15][NH:16][C@@H:17]1[C:26]2[C:21](=[CH:22][CH:23]=[C:24]([CH2:2][C:3]([CH3:6])([CH3:5])[CH3:4])[CH:25]=2)[O:20][CH2:19][CH2:18]1 | 1 |
C(C)OC([C@@H](C)N1C(COC2=C1C=CC(=C2)Br)=S)=O>>BrC1=CC=C2N3[C@@H](C(NN=C3COC2=C1)=O)C | 5 |
ClC1=CC(=NC(=N1)C1=CC=CC=C1)C(=O)Cl.CC1=CN=C(O1)C1=C(N)C=CC=C1>>ClC1=CC(=NC(=N1)C1=CC=CC=C1)C(=O)NC1=C(C=CC=C1)C=1OC(=CN1)C | 5 |
[F:1][C:2]1[CH:7]=[CH:6][C:5]([CH2:8][CH2:9][C:10]([OH:12])=O)=[CH:4][CH:3]=1.C(N(CC)CC)C.C(OC(Cl)=O)C(C)C.[N:28]1([C:34]2[C:43]3[C:38](=[CH:39][CH:40]=[CH:41][CH:42]=3)[C:37]([C:44]#[N:45])=[CH:36][CH:35]=2)[CH2:33][CH2:32][CH2:31][CH2:30][NH:29]1>ClCCl>[F:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:8][CH2:9][C:10]([N:29]2[CH2:30][CH2:31][CH2:32][CH2:33][N:28]2[C:34]2[C:43]3[C:38](=[CH:39][CH:40]=[CH:41][CH:42]=3)[C:37]([C:44]#[N:45])=[CH:36][CH:35]=2)=[O:12])=[CH:6][CH:7]=1 | 2 |
C(C1=CC=CC=C1)OC1=C2C(=CNC2=C(C=C1F)F)C(C(=O)N(C)C)=O>>C(C1=CC=CC=C1)OC1=C2C(=CNC2=C(C=C1F)F)CCN(C)C | 5 |
C(C)(=O)Cl.BrC=1C(=C(C#N)C=CC1)O>ClCCl.CCN(CC)CC>BrC1=C(C(=CC=C1)C#N)OC(C)=O | 3 |
C([Li])CCC.C(NC(C)C)(C)C.[CH3:13][C:14]1[CH:19]=[C:18]([CH3:20])[CH:17]=[CH:16][C:15]=1[C:21]1[N:29]=[C:28]([S:30][CH3:31])[N:27]=[C:26]2[C:22]=1[N:23]=[CH:24][N:25]2[CH:32]1[CH2:37][CH2:36][CH2:35][CH2:34][O:33]1.[Cl:38]N1C(=O)CCC1=O.C(=O)(O)[O-].[Na+]>C1COCC1.C(OCC)(=O)C>[Cl:38][C:24]1[N:25]([CH:32]2[CH2:37][CH2:36][CH2:35][CH2:34][O:33]2)[C:26]2[C:22]([N:23]=1)=[C:21]([C:15]1[CH:16]=[CH:17][C:18]([CH3:20])=[CH:19][C:14]=1[CH3:13])[N:29]=[C:28]([S:30][CH3:31])[N:27]=2 | 2 |
Cl[C:2]1[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[N:5]=[C:4]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=2[O:18][CH3:19])[N:3]=1.[CH3:20][O:21][C:22]([C@H:24]1[CH2:28][C@H:27]([NH2:29])[CH2:26][N:25]1[C:30]([O:32][C:33]([CH3:36])([CH3:35])[CH3:34])=[O:31])=[O:23].C(N(CC)CC)C>O1CCOCC1.ClCCl>[CH3:19][O:18][C:13]1[CH:14]=[CH:15][CH:16]=[CH:17][C:12]=1[C:4]1[N:3]=[C:2]([NH:29][C@@H:27]2[CH2:26][N:25]([C:30]([O:32][C:33]([CH3:34])([CH3:35])[CH3:36])=[O:31])[C@@H:24]([C:22]([O:21][CH3:20])=[O:23])[CH2:28]2)[C:11]2[C:6](=[CH:7][CH:8]=[CH:9][CH:10]=2)[N:5]=1 | 1 |
Cl[C:2]1[C:3]([C:25]2[CH:26]=[N:27][N:28]3[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=23)=[N:4][C:5]([NH:8][C:9]2[C:14]([O:15][CH3:16])=[CH:13][C:12]([N:17]3[CH2:20][CH:19]([N:21]([CH3:23])[CH3:22])[CH2:18]3)=[C:11]([NH2:24])[CH:10]=2)=[N:6][CH:7]=1.C1(P(C2CCCCC2)C2C=CC=CC=2C2C(C(C)C)=CC(C(C)C)=CC=2C(C)C)CCCCC1.[C:68]([Zn]C#N)#[N:69]>CC(N(C)C)=O.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.C1C=CC(/C=C/C(/C=C/C2C=CC=CC=2)=O)=CC=1.[Pd].[Pd]>[NH2:24][C:11]1[C:12]([N:17]2[CH2:20][CH:19]([N:21]([CH3:22])[CH3:23])[CH2:18]2)=[CH:13][C:14]([O:15][CH3:16])=[C:9]([NH:8][C:5]2[N:4]=[C:3]([C:25]3[CH:26]=[N:27][N:28]4[CH:33]=[CH:32][CH:31]=[CH:30][C:29]=34)[C:2]([C:68]#[N:69])=[CH:7][N:6]=2)[CH:10]=1 | 2 |
FC(OC=1C=C2C=3CC(CCC3NC2=CC1)C(=O)N)(F)F>>FC(OC=1C=C2C=3CC(CCC3NC2=CC1)CN)(F)F | 5 |
NC=1N=[N+](C2=C(N1)C=C1CC(CC1=C2)CO)[O-]>N(C)(C)C=O.Br.N(=O)[O-].[Na+].[Cu]Br>BrC=1N=[N+](C2=C(N1)C=C1CC(CC1=C2)CO)[O-] | 3 |
C1(CCCC1)Br.CC1(OB(OC1(C)C)C=1C=NNC1)C>CC#N.C(=O)([O-])[O-].[Cs+].[Cs+]>C1(CCCC1)N1N=CC(=C1)B1OC(C(O1)(C)C)(C)C | 3 |
BrC1=C(C=C(C=C1)OC)CCC#N>C1CCCO1>BrC1=C(C=C(C=C1)OC)CCCN | 3 |
C(C)(C)(C)OC(=O)N1CCN(CC1)C=1C2=C(N=CN1)N=CC=C2>>C(C)(C)(C)OC(=O)N1CCN(CC1)C=1C2=C(N=CN1)NCCC2 | 5 |
NC(C(C)(C)NC([C@@H](CCCNC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O)NC(OC(C)(C)C)=O)=O)=O>ClCCl.C(=O)(C(F)(F)F)O>N[C@H](CCCNC(OCC1C2=CC=CC=C2C=2C=CC=CC12)=O)C(=O)NC(C(=O)N)(C)C | 3 |
Cl[C:2]1[CH:7]=[C:6]([Cl:8])[CH:5]=[CH:4][C:3]=1[CH:9]1[CH2:12][CH2:11][C:10]1=O.N.[CH2:15]([N:17](CC)CC)[CH3:16].C(OC(=O)C)(=[O:24])C>C1(C)C=CC=CC=1.CO.CC(C)[O-].[Ti+4].CC(C)[O-].CC(C)[O-].CC(C)[O-].CCOC(C)=O.O>[Cl:8][C:6]1[CH:5]=[CH:4][C:3]([C:9]2[CH2:12][CH2:11][C:10]=2[NH:17][C:15](=[O:24])[CH3:16])=[CH:2][CH:7]=1 | 2 |
C(C1=CC=CC=C1)OCCCCCCCCC(C(F)(F)F)(F)F>ClCCl.[Al](Cl)(Cl)Cl.Cl.CN(C1=CC=CC=C1)C>FC(CCCCCCCCO)(C(F)(F)F)F | 3 |
FC=1C=2N(C=C(C1)N)C=C(N2)C.C(C)(C)(C)OC(=O)N1CCN(CC1)C1=C2C=C(N=NC2=C(C=C1)C(=O)O)OCCOC>CC#N.CN1C=NC=C1.F[P-](F)(F)(F)(F)F.ClC(=[N+](C)C)N(C)C>FC=1C=2N(C=C(C1)NC(=O)C=1C=CC(=C3C=C(N=NC13)OCCOC)N1CCN(CC1)C(=O)OC(C)(C)C)C=C(N2)C | 3 |
Br[C:2]1[C:6]([Br:7])=[C:5]([NH:8][C:9]([C@@H:11]2[CH2:13][C@H:12]2[CH3:14])=[O:10])[S:4][N:3]=1.[CH2:15]([O:17][C:18]1[CH:23]=[CH:22][C:21](B(O)O)=[CH:20][CH:19]=1)[CH3:16].CN(C=O)C.C(=O)([O-])[O-].[Na+].[Na+]>CCOC(C)=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.C1(C)C=CC=CC=1>[Br:7][C:6]1[C:2]([C:21]2[CH:22]=[CH:23][C:18]([O:17][CH2:15][CH3:16])=[CH:19][CH:20]=2)=[N:3][S:4][C:5]=1[NH:8][C:9]([C@@H:11]1[CH2:13][C@H:12]1[CH3:14])=[O:10] | 1 |
COCCBr.CC1=NNC(=C1B1OC(C(O1)(C)C)(C)C)C>>COCCN1N=C(C(=C1C)B1OC(C(O1)(C)C)(C)C)C | 5 |
COC(=O)C=1C=2C(C(C(NC2C=C(C1)F)C1=CC(=CC=C1)Br)(C)C)O>>COC(=O)C=1C=2CC(C(NC2C=C(C1)F)C1=CC(=CC=C1)Br)(C)C | 5 |
[F:1][C:2]1[CH:7]=[C:6](I)[CH:5]=[CH:4][C:3]=1[N:9]1[C:13]([CH3:14])=[CH:12][CH:11]=[C:10]1[CH3:15].C[O-].[Na+].[CH:19]([O:22]C(C)C)(C)C.[NH4+].[Cl-]>CO.CN(C=O)C.Cl[Cu].O>[F:1][C:2]1[CH:7]=[C:6]([O:22][CH3:19])[CH:5]=[CH:4][C:3]=1[N:9]1[C:13]([CH3:14])=[CH:12][CH:11]=[C:10]1[CH3:15] | 1 |
CC1(CNCCC1)C.C(C1=CC=CC=C1)OC(C1=C(C=C(C=C1)C1=C(C(=NC(=C1)C1=C(C=CC=C1CC)CC)C)C=O)OCC1=CC=CC=C1)=O>ClCCl.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C(C1=CC=CC=C1)OC(C1=C(C=C(C=C1)C1=C(C(=NC(=C1)C1=C(C=CC=C1CC)CC)C)CN1CC(CCC1)(C)C)OCC1=CC=CC=C1)=O | 3 |
CC1(OB(OC1(C)C)C1=CC(=NC=C1)C(=O)OC)C.BrCC1=CC=C(CN2N=CC(=C2)C)C=C1>>COC(=O)C1=NC=CC(=C1)CC1=CC=C(C=C1)CN1N=CC(=C1)C | 5 |
ClCC(=O)N1CCCC1.CNC1CCC(CC1)OC1=NC=NC=2SC=3CC[C@@H](C3C12)CCO>>OCC[C@@H]1C=2C=3C(=NC=NC3SC2CC1)OC1CCC(CC1)N(CC(=O)N1CCCC1)C | 5 |
Br[C:2]1[CH:11]=[CH:10][C:5]2[NH:6][C:7](=[O:9])[S:8][C:4]=2[CH:3]=1.C[Mg]Br.C([Li])CCC.CN(C)[CH:22]=[O:23].C(O)(=O)CC(CC(O)=O)(C(O)=O)O>C1COCC1>[O:9]=[C:7]1[NH:6][C:5]2[CH:10]=[CH:11][C:2]([CH:22]=[O:23])=[CH:3][C:4]=2[S:8]1 | 2 |
[CH2:1]([O:3][C:4](=[O:27])[C:5]([O:8][C:9]1[CH:14]=[CH:13][C:12]([O:15][C:16]2[CH:21]=[C:20]([C:22]#[N:23])[C:19]([F:24])=[CH:18][C:17]=2N)=[CH:11][C:10]=1[CH3:26])([CH3:7])[CH3:6])[CH3:2].O[PH2]=O.N([O-])=O.[Na+]>C1COCC1.O.C([O-])(O)=O.[Na+]>[CH2:1]([O:3][C:4](=[O:27])[C:5]([O:8][C:9]1[CH:14]=[CH:13][C:12]([O:15][C:16]2[CH:17]=[CH:18][C:19]([F:24])=[C:20]([C:22]#[N:23])[CH:21]=2)=[CH:11][C:10]=1[CH3:26])([CH3:6])[CH3:7])[CH3:2] | 2 |
[O:1]=[C:2]1[C:7]([C:8]([OH:10])=O)=[CH:6][CH:5]=[N:4][N:3]1[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1.[C:17](Cl)(=[O:21])[C:18](Cl)=O.C(N(CC)CC)C.[C:30]1(=O)[CH2:35][CH2:34]CC[C:31]1=[O:36]>ClCCl.CN(C)C=O.CC(C)(O)C#N>[O:1]=[C:2]1[C:7]([C:8]([CH:18]2[C:17](=[O:21])[CH2:34][CH2:35][CH2:30][C:31]2=[O:36])=[O:10])=[CH:6][CH:5]=[N:4][N:3]1[C:11]1[CH:16]=[CH:15][CH:14]=[CH:13][CH:12]=1 | 1 |
[CH2:1]([N:8]1[CH:12]=[CH:11][N:10]=[C:9]1[C:13]([OH:15])=O)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[CH:16]([NH:19][C:20]1[CH:25]=[CH:24][CH:23]=[CH:22][C:21]=1[F:26])([CH3:18])[CH3:17].C(=O)(O)[O-].[Na+].O>ClCCl>[F:26][C:21]1[CH:22]=[CH:23][CH:24]=[CH:25][C:20]=1[N:19]([CH:16]([CH3:18])[CH3:17])[C:13]([C:9]1[N:8]([CH2:1][C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=2)[CH:12]=[CH:11][N:10]=1)=[O:15] | 2 |
ClC1=NN(C=C1NCC)C=1C=NC=CC1.CN(C(C1=CC=CC=C1)=O)CC(=O)O>>ClC1=NN(C=C1N(C(CN(C(C1=CC=CC=C1)=O)C)=O)CC)C=1C=NC=CC1 | 5 |
BrC1=C(C=C(C=C1)C(C(F)(F)F)O)C(F)(F)F>ClCCl.C(C)(=O)OI1(OC(C2=C1C=CC=C2)=O)(OC(C)=O)OC(C)=O>BrC1=C(C=C(C=C1)C(C(F)(F)F)=O)C(F)(F)F | 3 |
C(CCCCCCCCCCC)[Mg]Br.C(C)[Si](C1=CC(=CO1)C=O)(CC)CC>C1CCCO1>OC(CCCCCCCCCCCC)C=1C=C(OC1)[Si](CC)(CC)CC | 3 |
C[O:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]([C:11]2[CH:16]=[CH:15][C:14]([CH2:17][CH2:18][CH2:19][CH3:20])=[CH:13][CH:12]=2)=[O:10])=[CH:5][CH:4]=1.C[S-].[Na+]>CN(C)C=O>[OH:2][C:3]1[CH:4]=[CH:5][C:6]([C:9]([C:11]2[CH:12]=[CH:13][C:14]([CH2:17][CH2:18][CH2:19][CH3:20])=[CH:15][CH:16]=2)=[O:10])=[CH:7][CH:8]=1 | 1 |
NC1=NOC=C1.ClC1=C(C=C(C(=C1)C1=NN=C(C2=CC(=CC=C12)S(=O)(=O)OC1=C(C(=C(C(=C1F)F)F)F)F)OC)OC)C1=CC(=CC=C1)F>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>ClC1=C(C=C(C(=C1)C1=NN=C(C2=CC(=CC=C12)S(=O)(=O)NC1=NOC=C1)OC)OC)C1=CC(=CC=C1)F | 3 |
Cl.Cl.[CH3:3][N:4]([CH3:9])[CH:5]1[CH2:8][NH:7][CH2:6]1.[Cl:10][C:11]1[C:12]([C:30]2[C:38]3[C:33](=[CH:34][CH:35]=[CH:36][CH:37]=3)[NH:32][CH:31]=2)=[N:13][C:14]([NH:17][C:18]2[CH:23]=[C:22]([N+:24]([O-:26])=[O:25])[C:21](F)=[CH:20][C:19]=2[O:28][CH3:29])=[N:15][CH:16]=1.CCN(C(C)C)C(C)C>FC(F)(F)CO>[Cl:10][C:11]1[C:12]([C:30]2[C:38]3[C:33](=[CH:34][CH:35]=[CH:36][CH:37]=3)[NH:32][CH:31]=2)=[N:13][C:14]([NH:17][C:18]2[CH:23]=[C:22]([N+:24]([O-:26])=[O:25])[C:21]([N:7]3[CH2:8][CH:5]([N:4]([CH3:9])[CH3:3])[CH2:6]3)=[CH:20][C:19]=2[O:28][CH3:29])=[N:15][CH:16]=1 | 1 |
[NH2:1][C:2]1[CH:17]=[CH:16][C:5]([O:6][C:7]2[CH:8]=[C:9]3[C:13](=[CH:14][CH:15]=2)[NH:12][N:11]=[CH:10]3)=[C:4]([F:18])[CH:3]=1.Cl[C:20]1[CH:25]=[C:24]([C:26]2[CH:31]=[CH:30][N:29]=[CH:28][CH:27]=2)[N:23]=[C:22]([NH2:32])[N:21]=1.Cl.C(=O)(O)[O-].[Na+]>O>[NH2:32][C:22]1[N:21]=[C:20]([NH:1][C:2]2[CH:17]=[CH:16][C:5]([O:6][C:7]3[CH:8]=[C:9]4[C:13](=[CH:14][CH:15]=3)[NH:12][N:11]=[CH:10]4)=[C:4]([F:18])[CH:3]=2)[CH:25]=[C:24]([C:26]2[CH:31]=[CH:30][N:29]=[CH:28][CH:27]=2)[N:23]=1 | 1 |
C([Li])CCC.C(NC(C)C)(C)C.[CH3:13][N:14]([CH3:24])[C:15]1[N:20]=[C:19]([CH3:21])[C:18]([O:22][CH3:23])=[CH:17][N:16]=1.Cl[C:26]([O:28][CH2:29][CH3:30])=[O:27].Cl>C1COCC1.CCCCCC.C(OCC)(=O)C.O>[CH3:24][N:14]([CH3:13])[C:15]1[N:20]=[C:19]([CH2:21][C:26]([O:28][CH2:29][CH3:30])=[O:27])[C:18]([O:22][CH3:23])=[CH:17][N:16]=1 | 1 |
C(OC([N:8]1[CH2:20][C@@H:19]([CH3:21])[N:18]2[C@H:10]([CH2:11][C:12]3[C:17]2=[N:16][CH:15]=[C:14]([F:22])[C:13]=3[CH2:23]O)[CH2:9]1)=O)(C)(C)C.BrC(Br)(Br)Br.C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1>ClCCl.O1CCCC1.C([O-])(=O)C.[Pd+2].C([O-])(=O)C>[NH3:8].[F:22][C:14]1[C:13]([CH3:23])=[C:12]2[C:17]([N:18]3[C@H:10]([CH2:11]2)[CH2:9][NH:8][CH2:20][C@H:19]3[CH3:21])=[N:16][CH:15]=1 | 1 |
NC1=C(C=C(C=2C(C3=CC=CC=C3C(C12)=O)=O)SC1=CC=C(C=C1)S(=O)(=O)O)OC1=CC(=C(C=C1)S(=O)(=O)O)N>N1=C(Cl)N=C(Cl)N=C1Cl>C1=CC=CC=2C(C3=CC=CC=C3C(C12)=O)=O | 3 |
COCCOC.CO.CNC=1C(=NC=CC1)[N+](=O)[O-]>>CNC1=NC=CC=C1N | 3 |
[CH3:1][O:2][CH2:3][C@@H:4]([NH2:6])[CH3:5].Cl[C:8]([O:10][CH2:11][CH3:12])=[O:9].C(N(CC)CC)C>O1CCCC1>[CH2:11]([O:10][C:8](=[O:9])[NH:6][C@@H:4]([CH3:5])[CH2:3][O:2][CH3:1])[CH3:12] | 1 |
C(O[CH:5]1[C:9]([C:16]2[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=2)([C:10]2[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=2)[CH2:8][CH:7]=[CH:6]1)(=O)C.[N-:22]=[N+:23]=[N-:24].[Na+].O1CCCC1.O>C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.[Pd].C(OCC)(=O)C>[C:10]1([C:9]2([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)[CH2:8][CH:7]([N:22]=[N+:23]=[N-:24])[CH:6]=[CH:5]2)[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1 | 1 |
O1N=CC(=C1)N.ClC=1N=CC2=C(N1)N1C(C(=C2)C=2C=C(C=CC2C)NC(C2=NC=CC(=C2)C(F)(F)F)=O)=NCC1>Cl.O1CCOCC1.CC(C)O>O1N=CC(=C1)NC=1N=CC2=C(N1)N1C(C(=C2)C=2C=C(C=CC2C)NC(C2=NC=CC(=C2)C(F)(F)F)=O)=NCC1 | 3 |
C(C)(C)(C)OC(=O)N1[C@H](CCC1)C(NC=1C(OC(C1)=O)OCC)=O>>C(C)(C)(C)OC(=O)N1[C@H](CCC1)C(NC1C(OC(C1)=O)OCC)=O | 5 |
[C:1]([O-:24])(=[O:23])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22].[Ag+:25].[N+]([O-])(O)=O.N.[N+]([O-])([O-])=O.[Ag+].[Br-:36].[NH4+].[I-:38].[NH4+]>C1(C)C=CC=CC=1.O>[C:1]([O-:24])(=[O:23])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH3:22].[Ag+:25].[I:38][Br:36].[Ag:25] | 1 |
[H-].[Na+].[CH3:3][C:4]1[CH:5]=[CH:6][C:7]([N+:11]([O-:13])=[O:12])=[C:8]([OH:10])[CH:9]=1.Cl[CH:15]([CH3:18])[CH:16]=[CH2:17].[OH-].[Na+]>CS(C)=O>[CH3:17][CH:16]([O:10][C:8]1[CH:9]=[C:4]([CH3:3])[CH:5]=[CH:6][C:7]=1[N+:11]([O-:13])=[O:12])[CH:15]=[CH2:18] | 1 |
[C:1]1([CH2:7][C:8]([OH:10])=O)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(N(C(C)C)C(C)C)C.[O:44]1[CH2:49][CH2:48][O:47][CH2:46][CH:45]1[C:50]1[C:58]2[S:57][C:56]([NH2:59])=[N:55][C:54]=2[C:53]([O:60][CH3:61])=[CH:52][CH:51]=1>C1COCC1>[O:44]1[CH2:49][CH2:48][O:47][CH2:46][CH:45]1[C:50]1[C:58]2[S:57][C:56]([NH:59][C:8](=[O:10])[CH2:7][C:1]3[CH:2]=[CH:3][CH:4]=[CH:5][CH:6]=3)=[N:55][C:54]=2[C:53]([O:60][CH3:61])=[CH:52][CH:51]=1 | 1 |
ClCC(=O)OCC.O=C(OCC)CC(=O)OCC>CCO[H].CC[O-].[Na+]>C(CC(=O)OCC)(C(=O)OCC)C(=O)OCC | 3 |
FC1=C(C(=CC(=C1)C=O)F)C=1C=CC=C2C=CC(=CC12)C(=O)OC>CO[H].CCN(CC)CC.Cl.NO>FC1=C(C(=CC(=C1)C=NO)F)C=1C=CC=C2C=CC(=CC12)C(=O)OC | 3 |
Br[CH2:2][CH2:3][C:4]1[CH:5]=[CH:6][C:7]2[O:11][CH2:10][CH2:9][C:8]=2[CH:12]=1.[C:13]1([C:19]([C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)([C@@H:23]2[CH2:27][CH2:26][NH:25][CH2:24]2)[C:20]([NH2:22])=[O:21])[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[O:11]1[C:7]2[CH:6]=[CH:5][C:4]([CH2:3][CH2:2][N:25]3[CH2:26][CH2:27][C@@H:23]([C:19]([C:28]4[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=4)([C:13]4[CH:14]=[CH:15][CH:16]=[CH:17][CH:18]=4)[C:20]([NH2:22])=[O:21])[CH2:24]3)=[CH:12][C:8]=2[CH2:9][CH2:10]1 | 2 |
CC1=CC(=NC(=C1CNC1=C2C(=NC=N1)N(N=C2)CC2=CC=C(C=C2)CN2C(C=CC=C2)=O)C)NC(OC(C)(C)C)=O>ClCCl.C(=O)(C(F)(F)F)O>NC1=CC(=C(C(=N1)C)CNC1=C2C(=NC=N1)N(N=C2)CC2=CC=C(CN1C(C=CC=C1)=O)C=C2)C | 3 |
[F:1][C:2]1[CH:30]=[CH:29][C:5]2[N:6]=[C:7]([NH:9][C@H:10]3[CH2:14][CH2:13][CH2:12][C@@H:11]3[NH:15]C(=O)C3C=CC=CC=3N3C=CC=N3)[S:8][C:4]=2[CH:3]=1.[F:31][C:32]1[CH:33]=[CH:34][C:35]([C:41]2[N:46]=[CH:45][CH:44]=[CH:43][N:42]=2)=[C:36]([CH:40]=1)[C:37]([OH:39])=O.Cl.FC1C=CC2N=C(N[C@H]3CCC[C@@H]3N)SC=2C=1>>[F:31][C:32]1[CH:33]=[CH:34][C:35]([C:41]2[N:46]=[CH:45][CH:44]=[CH:43][N:42]=2)=[C:36]([CH:40]=1)[C:37]([NH:15][C@H:11]1[CH2:12][CH2:13][CH2:14][C@@H:10]1[NH:9][C:7]1[S:8][C:4]2[CH:3]=[C:2]([F:1])[CH:30]=[CH:29][C:5]=2[N:6]=1)=[O:39] | 2 |
[NH:1]1[CH2:6][CH2:5][CH:4]([C:7]([OH:9])=[O:8])[CH2:3][CH2:2]1.O=S(Cl)Cl.[CH3:14]O>>[NH:1]1[CH2:6][CH2:5][CH:4]([C:7]([O:9][CH3:14])=[O:8])[CH2:3][CH2:2]1 | 2 |
FC=1C=C2CCC(CC2=C(C1)F)=O>>BrC1=C(C2=C(C=C(C=C2CC1)F)F)C=O | 5 |
Cl.CNOC.BrC1=CC(=C(C(=O)O)C=C1)F>CCN(CC)CC.CCN=C=NCCCN(C)C>BrC1=CC(=C(C(=O)N(C)OC)C=C1)F | 3 |
C1(=CC=C(C=C1)S(=O)(=O)C#N)C.C(C)(C)(C)OC(=O)N1C(C=2N(CC1)C(=NC2I)CC)CCC2=CC(=C(C=C2)C(F)(F)F)F>>C(C)(C)(C)OC(=O)N1C(C=2N(CC1)C(=NC2C#N)CC)CCC2=CC(=C(C=C2)C(F)(F)F)F | 5 |
C(#N)C1CC(N(CC1)C(=O)OC)CC1=CC=C(C=C1)C(F)(F)F>>COC(=O)N1C(CC(CC1)C(=O)O)CC1=CC=C(C=C1)C(F)(F)F | 5 |
ClS([N:5]=[C:6]=[O:7])(=O)=O.[CH3:8][O:9][C:10]1[CH:11]=[C:12]2[C:17](=[C:18]3[CH2:22][C:21]([CH3:24])([CH3:23])[O:20][C:19]=13)[C:16]([C:25]1[CH:26]=[C:27]([NH:31][C:32]3[CH:33]=[N:34][CH:35]=[CH:36][CH:37]=3)[CH:28]=[CH:29][CH:30]=1)=[N:15][C:14]([CH3:39])([CH3:38])[CH2:13]2.C(O)(=O)C.[OH-].[Na+]>O1CCCC1.O>[N:34]1[CH:35]=[CH:36][CH:37]=[C:32]([N:31]([C:27]2[CH:28]=[CH:29][CH:30]=[C:25]([C:16]3[C:17]4[C:12](=[CH:11][C:10]([O:9][CH3:8])=[C:19]5[O:20][C:21]([CH3:24])([CH3:23])[CH2:22][C:18]5=4)[CH2:13][C:14]([CH3:39])([CH3:38])[N:15]=3)[CH:26]=2)[C:6]([NH2:5])=[O:7])[CH:33]=1 | 2 |
C1(CCC1)N1N=CC(=C1)C1=C(C(=O)OCC)C=C(C=C1F)[N+](=O)[O-]>CCO[H].[HH].[Pd]>NC=1C=C(C(=C(C(=O)OCC)C1)C=1C=NN(C1)C1CCC1)F | 3 |
[CH3:1][C:2]1[CH:7]=[C:6]([NH2:8])[CH:5]=[C:4]([CH3:9])[N:3]=1.[F:10][C:11]1[C:16]([O:17][C:18](=O)[O:19]C2C(F)=C(F)C(F)=C(F)C=2F)=[C:15]([F:32])[C:14]([F:33])=[C:13]([F:34])[C:12]=1[F:35]>C1COCC1>[F:10][C:11]1[C:16]([O:17][C:18](=[O:19])[NH:8][C:6]2[CH:5]=[C:4]([CH3:9])[N:3]=[C:2]([CH3:1])[CH:7]=2)=[C:15]([F:32])[C:14]([F:33])=[C:13]([F:34])[C:12]=1[F:35] | 1 |
ClC1=C(C=CC=C1C1=NOC(=N1)C=1C=NC(=C(C1)Cl)OC(C)C)CCCC(=O)OCC>>ClC1=C(C=CC=C1C1=NOC(=N1)C=1C=NC(=C(C1)Cl)OC(C)C)CCCC(=O)O | 5 |
[N:1]1([C:6]2[CH:26]=[CH:25][C:9]([CH2:10][C:11]3[C:12](Cl)=[N:13][C:14]4[C:19]([C:20]=3[Cl:21])=[CH:18][C:17]([Br:22])=[CH:16][C:15]=4[CH3:23])=[CH:8][CH:7]=2)[CH:5]=[CH:4][CH:3]=[N:2]1.N1(C2C=CC(CC3C(Cl)=NC4C(C=3Cl)=CC(Br)=CC=4)=CC=2)C=CC=N1.N1(C2C=CC(CC3[C:63]([O:74]C)=NC4C(C=3Cl)=CC(Br)=CC=4)=CC=2)C=CC=N1>>[N:1]1([C:6]2[CH:26]=[CH:25][C:9]([CH2:10][C:11]3[C:12]([O:74][CH3:63])=[N:13][C:14]4[C:19]([C:20]=3[Cl:21])=[CH:18][C:17]([Br:22])=[CH:16][C:15]=4[CH3:23])=[CH:8][CH:7]=2)[CH:5]=[CH:4][CH:3]=[N:2]1 | 1 |
[OH:1][C:2]1[CH:11]=[C:10]2[C:5]([C:6]([C:16]3[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=3)=[CH:7][C:8]([C:12]([O:14]C)=[O:13])=[CH:9]2)=[CH:4][CH:3]=1.[Cl:22][C:23]1[C:30]([Cl:31])=[CH:29][CH:28]=[C:27]([Cl:32])[C:24]=1[CH2:25]Br.C(=O)([O-])[O-].[K+].[K+]>C(#N)C>[C:16]1([C:6]2[C:5]3[C:10](=[CH:11][C:2]([O:1][CH2:25][C:24]4[C:27]([Cl:32])=[CH:28][CH:29]=[C:30]([Cl:31])[C:23]=4[Cl:22])=[CH:3][CH:4]=3)[CH:9]=[C:8]([C:12]([OH:14])=[O:13])[CH:7]=2)[CH:17]=[CH:18][CH:19]=[CH:20][CH:21]=1 | 2 |
[CH3:1][O:2][C:3]1[N:8]=[C:7]([C:9]2[S:13][C:12]([CH:14]=[O:15])=[CH:11][CH:10]=2)[CH:6]=[C:5]([NH:16][CH2:17][CH2:18][C:19]2[CH:24]=[CH:23][C:22]([O:25][CH3:26])=[CH:21][CH:20]=2)[N:4]=1.[BH4-].[Na+].CCOC(C)=O.C1CCCCC1>CO.C1COCC1>[CH3:1][O:2][C:3]1[N:8]=[C:7]([C:9]2[S:13][C:12]([CH2:14][OH:15])=[CH:11][CH:10]=2)[CH:6]=[C:5]([NH:16][CH2:17][CH2:18][C:19]2[CH:20]=[CH:21][C:22]([O:25][CH3:26])=[CH:23][CH:24]=2)[N:4]=1 | 1 |
[OH:1][CH:2]([CH2:6][O:7][S:8]([C:11]1[CH:17]=[CH:16][C:14]([CH3:15])=[CH:13][CH:12]=1)(=[O:10])=[O:9])[CH2:3][C:4]#[N:5].[C:18](OC(=O)C)(=[O:20])[CH3:19].N1C=CC=CC=1.Cl>C(OCC)(=O)C>[C:18]([O:1][CH:2]([CH2:6][O:7][S:8]([C:11]1[CH:12]=[CH:13][C:14]([CH3:15])=[CH:16][CH:17]=1)(=[O:10])=[O:9])[CH2:3][C:4]#[N:5])(=[O:20])[CH3:19] | 2 |
SCC(=O)O.C(C)OC(=O)NC=1C=C(C=CC1)CCOS(=O)(=O)C>>C(C)OC(=O)NC=1C=C(C=CC1)CCSCC(=O)O | 5 |
[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([Cl:11])=[C:6]([CH:10]=1)[C:7]([OH:9])=[O:8].S(=O)(=O)(O)O.[CH3:17]O>>[CH3:17][O:8][C:7](=[O:9])[C:6]1[CH:10]=[C:2]([NH2:1])[CH:3]=[CH:4][C:5]=1[Cl:11] | 1 |
CI.COC1=C(CN)C=CC=C1.S1C(=NC=C1)NC(=S)N>>COC1=C(CNC(=N)NC=2SC=CN2)C=CC=C1 | 5 |
N1C(CC2=CC=CC=C12)=O.C[Si](C)(C)[N-][Si](C)(C)C.[Li+].C1CCOC1.O1C(OCC1)CC=1C=C2COC(C2=CC1)=O>>O1C(OCC1)CC=1C=C2COC(C2=CC1)=C1C(NC2=CC=CC=C12)=O | 5 |
[Br-].C[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.C(=O)C1=CC(=C(C(=O)OCC)C=C1)C>C([O-])([O-])=O.[K+].[K+].O1CCOCC1>CC1=C(C(=O)OCC)C=CC(=C1)C=C | 3 |
BrC1=NC=CC(=C1)[N+](=O)[O-].O1CCCC=C1B1OC(C(O1)(C)C)(C)C>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]>O1CCCC=C1C1=NC=CC(=C1)[N+](=O)[O-] | 3 |
[C:1]([N:5]1[C:9](=[O:10])[C:8](Cl)=[C:7]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[S:6]1(=[O:19])=[O:18])([CH3:4])([CH3:3])[CH3:2].Cl.[NH2:21][CH2:22][C:23]([O:25][CH3:26])=[O:24]>CC#N.CN(C=O)C>[C:1]([N:5]1[C:9](=[O:10])[C:8]([NH:21][CH2:22][C:23]([O:25][CH3:26])=[O:24])=[C:7]([C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[S:6]1(=[O:19])=[O:18])([CH3:4])([CH3:3])[CH3:2] | 1 |
N[C@@H]1CC[C@H](CC1)O.ClC1=NC=CC(=N1)N(C(=O)C1=CC2=CC=CC=C2C=C1)CC>>C(C)N(C(=O)C1=CC2=CC=CC=C2C=C1)C1=NC(=NC=C1)N[C@@H]1CC[C@H](CC1)O | 5 |
[CH3:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[CH:13]=[CH:12][C:11]([C:14]([F:17])([F:16])[F:15])=[CH:10][CH:9]=2)=[C:4]([C:18]([NH:20][C:21]2[CH:22]=[CH:23][C:24]([NH:27][C:28](=O)[O-])=[N:25][CH:26]=2)=[O:19])[CH:3]=1.F[C:32](F)(F)[C:33](O)=O>ClCCl>[NH2:27][C:24]1[N:25]=[C:33]([CH2:32][CH2:28][NH:27][C:24]2[N:25]=[CH:26][C:21]([NH:20][C:18]([C:4]3[C:5]([C:8]4[CH:9]=[CH:10][C:11]([C:14]([F:15])([F:17])[F:16])=[CH:12][CH:13]=4)=[CH:6][CH:7]=[C:2]([CH3:1])[CH:3]=3)=[O:19])=[CH:22][CH:23]=2)[CH:21]=[CH:22][CH:23]=1 | 2 |
ClC1=C(C(=C(N=N1)OC1=C(C=C(C=C1)F)C)C(=O)OC)C>[HH].[O-]S(=O)(=S)[O-].[Na+].[Na+].I>FC1=CC(=C(OC=2N=NC(=C(C2C(=O)OC)C)I)C=C1)C | 3 |
BrC=1C(=NC(=NC1)Cl)OC.CON(C1=CC=CC=C1)OC>>BrC=1C(=NC(=NC1)NC1=CC(=CC(=C1)OC)OC)OC | 5 |
BrC(C(=O)C=1C=C2CN(C(C2=C(C1)Cl)=O)CC1=CC=C(C=C1)OC)C>C(=O)(C(F)(F)F)O>BrC(C(=O)C=1C=C2CNC(C2=C(C1)Cl)=O)C | 3 |
N1=C(C=CC2=CC=CC=C12)NC1C2CN(CC12)C1=NC=C(C=N1)C(=O)OCC>O.C1CCCO1>N1=C(C=CC2=CC=CC=C12)NC1C2CN(CC12)C1=NC=C(C=N1)C(=O)O | 3 |
[CH2:1]([N:4]1[C:9]([NH2:10])=[C:8]([NH2:11])[C:7](=[O:12])[N:6]([CH2:13][C:14]2[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=2)[C:5]1=[O:21])[CH:2]=[CH2:3].[C:22]1(=O)[CH2:27][CH2:26][CH2:25][CH2:24][C:23]1=O>>[CH2:1]([N:4]1[C:9]2[C:8](=[N:11][C:22]3[CH2:27][CH2:26][CH2:25][CH2:24][C:23]=3[N:10]=2)[C:7](=[O:12])[N:6]([CH2:13][C:14]2[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=2)[C:5]1=[O:21])[CH:2]=[CH2:3] | 2 |
CC1=C(N=C(S1)C1=CC=CC=C1)COC1=CC=C(CO\N=C(/CCC(=O)OC)\C2=CC=CC=C2)C=C1>>CC1=C(N=C(S1)C1=CC=CC=C1)COC1=CC=C(CO\N=C(/CCC(=O)O)\C2=CC=CC=C2)C=C1 | 5 |
ClC=1C=C(C=CC1OC(C)C)C1=NOC(=N1)C1=C2CCN(CC2=CC=C1)C(=O)OC(C)(C)C>Cl.O1CCOCC1>ClC=1C=C(C=CC1OC(C)C)C1=NOC(=N1)C1=C2CCNCC2=CC=C1 | 3 |
C1CCC[Si]12CCC(CC2)N.COC1=CC=C2C(=N1)NC(=C2)C(=O)O>N(C)(C)C=O.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>COC1=CC=C2C(=N1)NC(=C2)C(=O)NC2CC[Si]1(CCCC1)CC2 | 3 |
[Mg].Br[CH2:3][CH2:4][CH2:5][CH3:6].CON(C)[C:10](=[O:28])[C:11]1[CH:16]=[CH:15][C:14]([CH2:17][O:18][CH2:19][C:20]2[CH:25]=[CH:24][C:23]([O:26][CH3:27])=[CH:22][CH:21]=2)=[CH:13][CH:12]=1.[Cl-].[NH4+]>O.O1CCCC1>[CH3:27][O:26][C:23]1[CH:22]=[CH:21][C:20]([CH2:19][O:18][CH2:17][C:14]2[CH:13]=[CH:12][C:11]([C:10](=[O:28])[CH2:3][CH2:4][CH2:5][CH3:6])=[CH:16][CH:15]=2)=[CH:25][CH:24]=1 | 2 |
C1(C)C=CC(S(O[CH2:11][C@H:12]2[O:16][C@@H:15]([N:17]3[CH:25]=[C:23]([CH3:24])[C:21](=[O:22])[NH:20][C:18]3=[O:19])[CH2:14][C@@H:13]2[OH:26])(=O)=O)=CC=1.[Cl:28][C:29]1[CH:36]=[CH:35][C:32]([CH2:33][NH2:34])=[CH:31][CH:30]=1>CN(C=O)C>[Cl:28][C:29]1[CH:36]=[CH:35][C:32]([CH2:33][NH:34][CH2:11][C@H:12]2[O:16][C@@H:15]([N:17]3[CH:25]=[C:23]([CH3:24])[C:21](=[O:22])[NH:20][C:18]3=[O:19])[CH2:14][C@@H:13]2[OH:26])=[CH:31][CH:30]=1 | 1 |
I[Si](C)(C)C.C[C@]1(CN(CCC1)C1=CC=C(C=C1)[N+](=O)[O-])NC(OCC1=CC=CC=C1)=O>ClCCl>C[C@]1(CN(CCC1)C1=CC=C(C=C1)[N+](=O)[O-])N | 3 |
C([Li])=C.[Li]C[CH2:6][CH2:7][CH3:8].C([Sn](C=C)(C=C)C=C)=C.[Cl:18][C:19]1[CH:24]=[C:23]([Cl:25])[N:22]=C[N:20]=1.C(C1C(=O)C(Cl)=C(Cl)C(=O)C=1C#N)#N>C(OCC)C>[CH:7]([C:6]1[N:20]=[C:19]([Cl:18])[CH:24]=[C:23]([Cl:25])[N:22]=1)=[CH2:8] | 1 |
[F:1][C:2]([F:12])([F:11])[C:3]1[CH:4]=[C:5]([CH:8]=[CH:9][CH:10]=1)[CH2:6][SH:7].[H-].[Na+].CCCCCC.[CH3:21][O:22][C:23]([C:25]1[C:30]([N+]([O-])=O)=[CH:29][C:28]([C:34]([O:36][CH3:37])=[O:35])=[CH:27][N:26]=1)=[O:24]>CN(C)C=O.O.C(O)(=O)C>[CH3:21][O:22][C:23]([C:25]1[C:30]([S:7][CH2:6][C:5]2[CH:8]=[CH:9][CH:10]=[C:3]([C:2]([F:11])([F:12])[F:1])[CH:4]=2)=[CH:29][C:28]([C:34]([O:36][CH3:37])=[O:35])=[CH:27][N:26]=1)=[O:24] | 1 |
[CH3:1][C:2]([C:5]1[CH:10]=[C:9]([SH:11])[CH:8]=[C:7]([C:12]([CH3:15])([CH3:14])[CH3:13])[C:6]=1[OH:16])([CH3:4])[CH3:3].Br[CH2:18][CH2:19][CH2:20][C:21]([O:23]CC)=[O:22].[OH-].[K+].O>CC(C)=O>[CH3:4][C:2]([C:5]1[CH:10]=[C:9]([S:11][CH2:18][CH2:19][CH2:20][C:21]([OH:23])=[O:22])[CH:8]=[C:7]([C:12]([CH3:15])([CH3:14])[CH3:13])[C:6]=1[OH:16])([CH3:1])[CH3:3] | 1 |
[NH2:1][C:2]1[NH:6][N:5]=[C:4]([C:7]2[CH:12]=[CH:11][C:10]([Br:13])=[CH:9][CH:8]=2)[CH:3]=1.[CH3:14]/[C:15](/N)=[CH:16]\[C:17]#[N:18]>C(O)(=O)C>[Br:13][C:10]1[CH:11]=[CH:12][C:7]([C:4]2[CH:3]=[C:2]3[N:1]=[C:15]([CH3:14])[CH:16]=[C:17]([NH2:18])[N:6]3[N:5]=2)=[CH:8][CH:9]=1 | 2 |
COC1=CC=C(C=C1)N=C=O.Cl.CNCC1=C2CN(C(C2=CC=C1)=O)C1C(NC(CC1)=O)=O>ClCCl.C(C)(C)N(C(C)C)CC>O=C1NC(CCC1N1C(C2=CC=CC(=C2C1)CN(C(=O)NC1=CC=C(C=C1)OC)C)=O)=O | 3 |
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