smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
ClC(=O)OCC1=CC=CC=C1.C(C1=CC=CC=C1)OC(NCC1OC2=C(C1)C=CC=C2C2CCCC2)=O.CC1=C(C(=CC=C1)C)C1=CC=CC=2CC(OC21)CN>>CC1=C(C(=CC=C1)C)C1=CC=CC=2CC(OC21)CNC(OCC2=CC=CC=C2)=O | 5 |
C(C)(C)(C)N1S(C2=C(C1)C=C(C=C2)NC2=NN(C1=C2C(NC=C1)=O)[C@@]1(CC[C@H](OC1)C(=O)OC(C)(C)C)CC#N)(=O)=O>>C(C)(C)(C)N1S(C2=C(C1)C=C(C=C2)NC2=NN(C1=C2C(NC=C1)=O)[C@@]1(CC[C@H](OC1)C(=O)O)CC#N)(=O)=O | 5 |
ClC1=NC=2C=CC3=C(C2C=C1)C1=C(S3)C(N[C@@H](CN1)C)=O.CC=1C=C(C=CC1B1OC(C(O1)(C)C)(C)C)N1CCN(CC1)C(=O)OC(C)(C)C>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]>CC=1C=C(C=CC1C1=NC=2C=CC3=C(C2C=C1)C1=C(S3)C(N[C@@H](CN1)C)=O)N1CCN(CC1)C(=O)OC(C)(C)C | 3 |
[I-].[CH2:2]([N:6]1[C:10]([CH3:11])=[C:9]([CH3:12])[S:8]/[C:7]/1=[CH:13]\[C:14]([N:16]1[CH:21]=[CH:20]C(=[N+](C)C)[CH:18]=[CH:17]1)=[O:15])[CH2:3][CH2:4][CH3:5].N1CC[O:28]CC1>O1CCOCC1>[CH2:2]([N:6]1[C:10]([CH3:11])=[C:9]([CH3:12])[S:8]/[C:7]/1=[CH:13]\[C:14]([N:16]1[CH2:21][CH2:20][O:28][CH2:18][CH2:17]1)=[O:15])[CH2:3][CH2:4][CH3:5] | 1 |
[NH2:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[C:4]([O:20][C:21]1[CH:26]=[CH:25][C:24]([Cl:27])=[CH:23][CH:22]=1)=[C:5]([CH3:19])[N:6]2[CH2:11][C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13].C(N(CC)CC)C.[C:35](Cl)(=[O:37])[CH3:36]>CC#N>[C:35]([NH:1][C:2]1[CH:10]=[CH:9][CH:8]=[C:7]2[C:3]=1[C:4]([O:20][C:21]1[CH:22]=[CH:23][C:24]([Cl:27])=[CH:25][CH:26]=1)=[C:5]([CH3:19])[N:6]2[CH2:11][C:12]([O:14][C:15]([CH3:17])([CH3:18])[CH3:16])=[O:13])(=[O:37])[CH3:36] | 1 |
[C:1]([C:3]1[C:4]([NH:25][C:26]2[C:27]([CH3:35])=[C:28]3[C:32](=[CH:33][CH:34]=2)[NH:31][CH:30]=[CH:29]3)=[C:5]2[CH:11]=[C:10]([C:12]3[CH2:17][CH2:16][N:15](C(OC(C)(C)C)=O)[CH2:14][CH:13]=3)[S:9][C:6]2=[N:7][CH:8]=1)#[N:2]>CCO.[Pd]>[CH3:35][C:27]1[C:26]([NH:25][C:4]2[C:3]([C:1]#[N:2])=[CH:8][N:7]=[C:6]3[S:9][C:10]([CH:12]4[CH2:17][CH2:16][NH:15][CH2:14][CH2:13]4)=[CH:11][C:5]=23)=[CH:34][CH:33]=[C:32]2[C:28]=1[CH:29]=[CH:30][NH:31]2 | 2 |
NC1=NC=CC=N1.FC1=C(C=CC(=C1)F)[N+](=O)[O-]>C1CCCO1.C[Si](C)(C)[N-][Si](C)(C)C.[Li+]>FC=1C=CC(=C(C1)NC1=NC=CC=N1)[N+](=O)[O-] | 3 |
C(C)OC(C[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)NC(CCC(NCCC#N)=O)=O)=O>>C(C)OC(C[C@@H](CC1=CC=C(C=C1)C1=CC=CC=C1)NC(CCC1=NN=NN1CCC#N)=O)=O | 5 |
ClCCl.CC(=O)C.C(C)(C)(C)OC(=O)N1N=C(C2=CC=C(C=C12)O[Si](C)(C)C(C)(C)C)N1C(C2=CC=CC=C2C1=O)=O>>C(C)(C)(C)OC(=O)N1N=C(C2=CC=C(C=C12)O[Si](C)(C)C(C)(C)C)N | 5 |
[OH-].[K+].[F:3][C:4]1[C:5](=[O:29])[N:6]([CH2:16][CH2:17][C@@:18]([CH3:28])([S:24]([CH3:27])(=[O:26])=[O:25])[C:19]([O:21]CC)=[O:20])[CH:7]=[CH:8][C:9]=1[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1>C1COCC1.CO.O>[F:3][C:4]1[C:5](=[O:29])[N:6]([CH2:16][CH2:17][C@@:18]([CH3:28])([S:24]([CH3:27])(=[O:25])=[O:26])[C:19]([OH:21])=[O:20])[CH:7]=[CH:8][C:9]=1[C:10]1[CH:11]=[CH:12][CH:13]=[CH:14][CH:15]=1 | 1 |
C(C)SC=1C(=NC=CC1)C(=O)NC1=NC=C(C=C1)C(F)(F)F>C(Cl)(Cl)(Cl)[H].ClC=1C=C(C(=O)OO)C=CC1>C(C)S(=O)(=O)C=1C(=NC=CC1)C(=O)NC1=NC=C(C=C1)C(F)(F)F | 3 |
NC1=C(C(=NC=C1C(=O)OCC)Cl)Cl.Cl.ClC1=CC=C(S1)S(=O)(=O)NC(=O)C1CCNCC1>C(C)(C)N(C(C)C)CC.CN(C(C)=O)C>NC1=C(C(=NC=C1C(=O)OCC)N1CCC(CC1)C(=O)NS(=O)(=O)C=1SC(=CC1)Cl)Cl | 3 |
BrC=1C=C(C=CC1)S.C1(=CC=CC=C1)C(CC(C#N)C#N)=O>CO[H].CCN(CC)CC>BrC=1C=C(C=CC1)SC=1NC(=CC1C#N)C1=CC=CC=C1 | 3 |
C1(CC1)C(=O)Cl.COC(COC1=C2CC3C(CC2=CC=C1)C(C(C3)O)CCC(CCCCC)O)=O>>OC(CCC1C(CC2C1CC1=CC=CC(=C1C2)OCC(=O)OC)OC(=O)C2CC2)CCCCC | 5 |
COCCNC1=C(C(=C(C(=O)OC)C=C1)C)[N+](=O)[O-]>>NC=1C(=C(C(=O)OC)C=CC1NCCOC)C | 5 |
Cl.[CH3:2][O:3][C:4]1[CH:5]=[C:6]([C:12]2[C:13]([CH3:25])([CH3:24])[C:14](=[O:23])[N:15]([CH:17]3[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]3)[N:16]=2)[CH:7]=[CH:8][C:9]=1[O:10][CH3:11].[CH2:26]([O:33][C:34]1[CH:35]=[CH:36][C:37]([Cl:43])=[C:38]([CH:42]=1)[C:39](Cl)=[O:40])[C:27]1[CH:32]=[CH:31][CH:30]=[CH:29][CH:28]=1>>[CH2:26]([O:33][C:34]1[CH:35]=[CH:36][C:37]([Cl:43])=[C:38]([C:39]([N:20]2[CH2:21][CH2:22][CH:17]([N:15]3[C:14](=[O:23])[C:13]([CH3:25])([CH3:24])[C:12]([C:6]4[CH:7]=[CH:8][C:9]([O:10][CH3:11])=[C:4]([O:3][CH3:2])[CH:5]=4)=[N:16]3)[CH2:18][CH2:19]2)=[O:40])[CH:42]=1)[C:27]1[CH:28]=[CH:29][CH:30]=[CH:31][CH:32]=1 | 1 |
FC(OC1=CC=C(C(N)=NO)C=C1)(F)F.CC1=CC(=NN1)C(=O)O>>CC1=CC(=NN1)C1=NC(=NO1)C1=CC=C(C=C1)OC(F)(F)F | 5 |
O=[C:2]([CH:8]([C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)[C:9](=O)[C:10]1[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1)[C:3]([O:5][CH2:6][CH3:7])=[O:4].O.[NH2:24][NH2:25]>C(O)C>[C:10]1([C:9]2[C:8]([C:17]3[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=3)=[C:2]([C:3]([O:5][CH2:6][CH3:7])=[O:4])[NH:25][N:24]=2)[CH:15]=[CH:14][CH:13]=[CH:12][CH:11]=1 | 2 |
[Cl:1][C:2]1[CH:7]=[C:6]([O:8][C@H:9]2[CH2:13][CH2:12][CH2:11][C@@H:10]2[C:14]2[N:18]([CH3:19])[N:17]=[CH:16][CH:15]=2)[C:5]([F:20])=[CH:4][C:3]=1[S:21]([N:24](CC1C=CC(OC)=CC=1OC)[C:25]1[CH:30]=[CH:29][N:28]=[CH:27][N:26]=1)(=[O:23])=[O:22].C([SiH](CC)CC)C.FC(F)(F)C(O)=O>ClCCl>[Cl:1][C:2]1[CH:7]=[C:6]([O:8][C@H:9]2[CH2:13][CH2:12][CH2:11][C@@H:10]2[C:14]2[N:18]([CH3:19])[N:17]=[CH:16][CH:15]=2)[C:5]([F:20])=[CH:4][C:3]=1[S:21]([NH:24][C:25]1[CH:30]=[CH:29][N:28]=[CH:27][N:26]=1)(=[O:22])=[O:23] | 1 |
FC(F)(F)S(O[C:7]1[CH:28]=[CH:27][C:10]2[C:11]3[CH:12]=[N:13][N:14]([C:18]4[CH:23]=[CH:22][C:21]([CH2:24][CH2:25][CH3:26])=[CH:20][CH:19]=4)[C:15]=3[CH2:16][CH2:17][C:9]=2[CH:8]=1)(=O)=O.[CH2:31]([Sn](CCCC)(CCCC)C=C)[CH2:32]CC.[Cl-].[Li+]>O1CCOCC1.C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[CH2:24]([C:21]1[CH:22]=[CH:23][C:18]([N:14]2[C:15]3[CH2:16][CH2:17][C:9]4[CH:8]=[C:7]([CH:31]=[CH2:32])[CH:28]=[CH:27][C:10]=4[C:11]=3[CH:12]=[N:13]2)=[CH:19][CH:20]=1)[CH2:25][CH3:26] | 1 |
[C:1]([O:5][C:6]([NH:8][C@@H:9]1[C:18]2[C:13](=[CH:14][C:15]([C:21]([OH:23])=O)=[C:16]([O:19][CH3:20])[CH:17]=2)[S:12][CH2:11][CH2:10]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[NH2:24][C:25]1[CH:30]=[CH:29][N:28]=[CH:27][CH:26]=1.[I-].ClC1C=CC=C[N+]=1C>>[C:1]([O:5][C:6]([NH:8][C@@H:9]1[C:18]2[C:13](=[CH:14][C:15]([C:21]([NH:24][C:25]3[CH:30]=[CH:29][N:28]=[CH:27][CH:26]=3)=[O:23])=[C:16]([O:19][CH3:20])[CH:17]=2)[S:12][CH2:11][CH2:10]1)=[O:7])([CH3:3])([CH3:2])[CH3:4] | 1 |
[F:1][C:2]1[CH:3]=[C:4](I)[CH:5]=[CH:6][CH:7]=1.[CH:9]1([N:13]2[CH2:19][CH2:18][CH2:17][N:16]([C:20]([C@H:22]3[CH2:26][C@H:25]([OH:27])[CH2:24][N:23]3[C:28](=[O:30])[CH3:29])=[O:21])[CH2:15][CH2:14]2)[CH2:12][CH2:11][CH2:10]1>>[CH:9]1([N:13]2[CH2:19][CH2:18][CH2:17][N:16]([C:20]([C@H:22]3[CH2:26][C@H:25]([O:27][C:4]4[CH:5]=[CH:6][CH:7]=[C:2]([F:1])[CH:3]=4)[CH2:24][N:23]3[C:28](=[O:30])[CH3:29])=[O:21])[CH2:15][CH2:14]2)[CH2:12][CH2:11][CH2:10]1 | 1 |
[C:1]([C:4](=[CH:10][CH2:11][CH:12]([CH3:14])[CH3:13])[C:5]([O:7][CH2:8][CH3:9])=[O:6])(=[O:3])[CH3:2].BrN1C(=O)CCC1=O>C(Cl)(Cl)(Cl)Cl>[CH:12]([C:11]1[O:3][C:1]([CH3:2])=[C:4]([C:5]([O:7][CH2:8][CH3:9])=[O:6])[CH:10]=1)([CH3:13])[CH3:14] | 1 |
C(#C)C=1C=C(C=CC1)CC(=O)N1CCN(CC1)C>>CN1CCN(CC1)C(CC1=CC(=CC=C1)\C=C\B1OC(C(O1)(C)C)(C)C)=O | 5 |
C(CCC)[Sn](C=1OC=CN1)(CCCC)CCCC.BrC1=CC=C(COC[C@H]2[C@H](C2)C2CCN(CC2)C2=NC=C(C=N2)CC)C=C1>C1(=CC=CC=C1)C.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-].[Cl-].[Pd+2]>C(C)C=1C=NC(=NC1)N1CCC(CC1)[C@@H]1[C@@H](C1)COCC1=CC=C(C=C1)C=1OC=CN1 | 3 |
C1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=CC=1.[Cl:20][C:21]1[C:30]2[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=2)[C:24](O)=[C:23]([CH2:32][CH2:33][CH2:34][OH:35])[N:22]=1.N(C(OC(C)C)=O)=NC(OC(C)C)=O>C1COCC1>[Cl:20][C:21]1[C:30]2[CH:29]=[CH:28][CH:27]=[CH:26][C:25]=2[C:24]2[O:35][CH2:34][CH2:33][CH2:32][C:23]=2[N:22]=1 | 1 |
NC1=NC=C(C=C1)B1OC(C(O1)(C)C)(C)C.BrC1=CC2=C(N=C(O2)C)C=C1C>CC#N.O.O1CCOCC1.P(=O)([O-])([O-])[O-].[K+].[K+].[K+].Cl[Pd]Cl.C(C)(C)(C)P(C1=CC=C(N(C)C)C=C1)C(C)(C)C>CC=1OC2=C(N1)C=C(C(=C2)C=2C=CC(=NC2)N)C | 3 |
[C:1]([O:5][C:6]([NH:8][C:9]1[CH:14]=[CH:13][C:12]([C:15]2[S:16][C:17]([C:21]([O:23]CC)=[O:22])=[C:18]([CH3:20])[N:19]=2)=[CH:11][N:10]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[OH-].[Na+].Cl>CCO.C1COCC1>[C:1]([O:5][C:6]([NH:8][C:9]1[N:10]=[CH:11][C:12]([C:15]2[S:16][C:17]([C:21]([OH:23])=[O:22])=[C:18]([CH3:20])[N:19]=2)=[CH:13][CH:14]=1)=[O:7])([CH3:4])([CH3:2])[CH3:3] | 1 |
FC1=C(N)C=CC(=C1F)B1OC(C(O1)(C)C)(C)C.BrC1=CC2=C(N=C(N=C2)N[C@@H]2CN(C[C@H](C2)F)C(=O)OCC2=CC=CC=C2)N(C1=O)C1CC1>O.O1CCOCC1.C([O-])([O-])=O.[Na+].[Na+].C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.C1=CC=C(C=C1)P([C-]2C=CC=C2)C3=CC=CC=C3.Cl[Pd]Cl.[Fe+2]>NC1=C(C(=C(C=C1)C1=CC2=C(N=C(N=C2)N[C@@H]2CN(C[C@H](C2)F)C(=O)OCC2=CC=CC=C2)N(C1=O)C1CC1)F)F | 3 |
BrCC1=C(C(=O)OC)C=CC=C1[N+](=O)[O-]>>COC(C1=C(C(=CC=C1)[N+](=O)[O-])CN=[N+]=[N-])=O | 5 |
COC(=O)NC(C(=O)O)C(C)C.C(C)(C)(C)OC(=O)N1C2CCC(C1C1=NC3=C(N1)C=C(C=C3)C=3C=CC1=C(SC4=C1C=CC(=C4)C=4NC(=NC4)C4N(CCC4)C(=O)OC(C)(C)C)C3)C2>ClCCl.Cl.O1CCOCC1.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1N=CC=C2)OC(=[N+](C)C)N(C)C>COC(NC(C(C)C)C(=O)N1C(CCC1)C=1NC(=CN1)C=1C=CC2=C(SC3=C2C=CC(=C3)C3=CC2=C(N=C(N2)C2N(C4CCC2C4)C(C(C(C)C)NC(=O)OC)=O)C=C3)C1)=O | 3 |
[N+:1]([C:4]1[C:5]([NH2:14])=[N:6][CH:7]=[C:8]([C:10]([F:13])([F:12])[F:11])[CH:9]=1)([O-])=O.O.O.[Sn](Cl)Cl.CN(C=O)C.C([O-])(O)=O.[Na+]>CCOC(C)=O>[F:13][C:10]([F:11])([F:12])[C:8]1[CH:9]=[C:4]([NH2:1])[C:5]([NH2:14])=[N:6][CH:7]=1 | 1 |
[NH2:1][C:2]1[N:7]=[C:6]([N:8]2[C@H:13]([CH3:14])[CH2:12][CH2:11][C@H:10]([C:15]([NH:17][CH2:18][C:19]3[CH:24]=[CH:23][CH:22]=[C:21]([O:25][CH3:26])[CH:20]=3)=[O:16])[CH2:9]2)[CH:5]=[C:4]([C:27]2[CH:32]=[CH:31][C:30]([C:33]#[N:34])=[C:29](F)[CH:28]=2)[N:3]=1.CCO.CCN(C(C)C)C(C)C.[NH2:48][NH2:49]>CO>[NH2:1][C:2]1[N:7]=[C:6]([N:8]2[C@H:13]([CH3:14])[CH2:12][CH2:11][C@H:10]([C:15]([NH:17][CH2:18][C:19]3[CH:24]=[CH:23][CH:22]=[C:21]([O:25][CH3:26])[CH:20]=3)=[O:16])[CH2:9]2)[CH:5]=[C:4]([C:27]2[CH:28]=[C:29]3[C:30]([C:33]([NH2:34])=[N:48][NH:49]3)=[CH:31][CH:32]=2)[N:3]=1 | 1 |
C(CCCCC=C)(=O)O>ClCCl.C(C(=O)Cl)(=O)Cl>C(CCCCC=C)(=O)Cl | 3 |
[NH2:1][C:2]1[CH:3]=[C:4]2[C:8](=[CH:9][CH:10]=1)[NH:7][CH:6]=[C:5]2[CH2:11][C@H:12]1[CH2:16][CH2:15][CH2:14][N:13]1[CH3:17].Br[C:19]1C=[CH:23][C:22]([C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)=[CH:21][C:20]=1[N+:31]([O-:33])=[O:32].C([N:36](CC)CC)C>CN(C)C=O>[CH3:17][N:13]1[CH2:14][CH2:15][CH2:16][CH:12]1[CH2:11][C:5]1[C:4]2[C:8](=[CH:9][CH:10]=[C:2]([NH:1][C:19]3[C:20]([N+:31]([O-:33])=[O:32])=[CH:21][C:22]([C:25]4[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=4)=[CH:23][N:36]=3)[CH:3]=2)[NH:7][CH:6]=1 | 1 |
[C:1]([C:5]1[CH:9]=[C:8]([NH:10][C:11]([NH:13][C:14]2[C:23]3[C:18](=[CH:19][CH:20]=[CH:21][CH:22]=3)[C:17]([O:24][C:25]3[CH:30]=[CH:29][N:28]=[C:27](Cl)[N:26]=3)=[CH:16][CH:15]=2)=[O:12])[N:7]([C:32]2[CH:37]=[CH:36][C:35]([P:38]([CH3:41])([CH3:40])=[O:39])=[CH:34][CH:33]=2)[N:6]=1)([CH3:4])([CH3:3])[CH3:2].[NH:42]1[C:50]2[C:45](=[CH:46][C:47]([NH2:51])=[CH:48][CH:49]=2)[CH:44]=[N:43]1.CN(C=O)C>C1COCC1>[NH:42]1[C:50]2[C:45](=[CH:46][C:47]([NH:51][C:27]3[N:26]=[C:25]([O:24][C:17]4[C:18]5[C:23](=[CH:22][CH:21]=[CH:20][CH:19]=5)[C:14]([NH:13][C:11]([NH:10][C:8]5[N:7]([C:32]6[CH:37]=[CH:36][C:35]([P:38]([CH3:41])([CH3:40])=[O:39])=[CH:34][CH:33]=6)[N:6]=[C:5]([C:1]([CH3:4])([CH3:3])[CH3:2])[CH:9]=5)=[O:12])=[CH:15][CH:16]=4)[CH:30]=[CH:29][N:28]=3)=[CH:48][CH:49]=2)[CH:44]=[N:43]1 | 2 |
BrC1=CC=C(COCC(CO[Si](C)(C)C(C)(C)C)(F)F)C=C1>>BrC1=CC=C(COCC(CO)(F)F)C=C1 | 5 |
C(C)(C)(C)OC(=O)NCCCC[C@H](C)N1C(=NC2=C1C(=CC=C2)C#C)NC(=O)C=2C=C(C(=O)OC(C)(C)C)C=CC2>ClCCl.C(=O)(C(F)(F)F)O>NCCCC[C@H](C)N1C(=NC2=C1C(=CC=C2)C#C)NC(=O)C=2C=C(C(=O)O)C=CC2 | 3 |
C(OCC)(OCC)(OCC)C.NC1=C(C(=CC(=C1)F)F)O>ClCCl.[O-]S(=O)(=O)C(F)(F)F.[Bi+3].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F>FC=1C=C(C2=C(N=C(O2)C)C1)F | 3 |
[N:1]1([C:6]2[CH:23]=[CH:22][C:9]([O:10][CH2:11][CH2:12][C@@H:13]3[CH2:15][C@@H:14]3[CH:16]3[CH2:21][CH2:20][NH:19][CH2:18][CH2:17]3)=[CH:8][CH:7]=2)[CH:5]=[N:4][N:3]=[N:2]1.C(N(CC)CC)C.Cl[C:32]([O:34][CH2:35][CH:36]([CH3:38])[CH3:37])=[O:33]>ClCCl>[N:1]1([C:6]2[CH:7]=[CH:8][C:9]([O:10][CH2:11][CH2:12][C@@H:13]3[CH2:15][C@@H:14]3[CH:16]3[CH2:21][CH2:20][N:19]([C:32]([O:34][CH2:35][CH:36]([CH3:38])[CH3:37])=[O:33])[CH2:18][CH2:17]3)=[CH:22][CH:23]=2)[CH:5]=[N:4][N:3]=[N:2]1 | 1 |
C[Si](C)(C)CNCCCC>CO[H].C=O>COCN(CCCC)C[Si](C)(C)C | 3 |
COC1=CC=C(N(C)C(CNC(OC(C)(C)C)=O)=O)C=C1>ClCCl.C(=O)(C(F)(F)F)O>FC(C(=O)O)(F)F.NCC(=O)N(C)C1=CC=C(C=C1)OC | 3 |
[CH3:1][N:2]1[CH:6]=[C:5]([N:7]2[CH:12]=[CH:11][C:10](=[O:13])[C:9]([CH2:14][C:15]3[CH:16]=[C:17]([C:21]4[N:26]=[CH:25][C:24](OCC(O)=O)=[CH:23][N:22]=4)[CH:18]=[CH:19][CH:20]=3)=[N:8]2)[CH:4]=[N:3]1>C1COCC1.CCOC(C)=O.O.CC([O-])=O.CC([O-])=O.[Pd+2].[I-].[Zn+2].[I-]>[CH3:14][CH:9]([C:24]1[CH:25]=[N:26][C:21]([C:17]2[CH:16]=[C:15]([CH:20]=[CH:19][CH:18]=2)[CH2:14][C:9]2[C:10](=[O:13])[CH:11]=[CH:12][N:7]([C:5]3[CH:4]=[N:3][N:2]([CH3:1])[CH:6]=3)[N:8]=2)=[N:22][CH:23]=1)[CH2:10][CH3:11] | 2 |
[CH:1]1[C:6](N=C=S)=[CH:5][C:4]2[C:10]([O:12][C:13]3([C:23]4[CH:24]=[CH:25][C:26]([OH:28])=[CH:27][C:22]=4[O:21][C:15]4[CH:16]=[C:17]([OH:20])[CH:18]=[CH:19][C:14]3=4)[C:3]=2[CH:2]=1)=[O:11].[Cl-].[NH4+].C1C=CC(N)=CC=1.OCC(CO)O>C(=O)([O-])[O-].[Na+].[Na+].CS(C)=O>[CH:1]1[CH:6]=[CH:5][C:4]([C:10]([OH:12])=[O:11])=[C:3]([C:13]2[C:14]3[CH:19]=[CH:18][C:17]([OH:20])=[CH:16][C:15]=3[O:21][C:22]3[C:23]=2[CH:24]=[CH:25][C:26]([CH:27]=3)=[O:28])[CH:2]=1 | 2 |
[Br:1][C:2]1[CH:8]=[CH:7][C:5](N)=[CH:4][CH:3]=1.N([O-])=O.[Na+].[N:13]1[CH:18]=[CH:17][CH:16]=[CH:15][CH:14]=1.C(=O)([O-])[O-].[Na+].[Na+]>Cl.O>[Br:1][C:2]1[CH:8]=[CH:7][C:5]([C:14]2[CH:15]=[CH:16][CH:17]=[CH:18][N:13]=2)=[CH:4][CH:3]=1 | 2 |
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[O:12][C:11]([C:13]([OH:15])=[O:14])=[CH:10][CH:9]=2)=[CH:4][CH:3]=1.[C:16]([NH:19][NH2:20])(=[O:18])[CH3:17]>S(Cl)(Cl)=O.C(Cl)(Cl)Cl>[C:16]([NH:19][NH2:20])(=[O:18])[CH3:17].[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([C:8]2[O:12][C:11]([C:13]([OH:15])=[O:14])=[CH:10][CH:9]=2)=[CH:6][CH:7]=1 | 1 |
C(CCCCC)C=1C=NC2=C(C=CC=C2C1)C(=O)NC=1C=C(OCC(=O)OC(C)C)C=CC1>O.C1CCCO1.[OH-].[Li+]>C(CCCCC)C=1C=NC2=C(C=CC=C2C1)C(=O)NC=1C=C(OCC(=O)O)C=CC1 | 3 |
ClC1=NC(=C(C(=N1)OC)[N+](=O)[O-])C.CC1=C(C(=CC(=C1)C)OC)B(O)O>COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>COC=1C(=C(C=C(C1)C)C)C1=NC(=C(C(=N1)OC)[N+](=O)[O-])C | 3 |
CC1(OB(OC1(C)C)C1=CN(C=2N=CN=CC21)S(=O)(=O)C2=CC=C(C)C=C2)C.BrC1=CC=CC(=N1)C=1CCN(CC1)C(=O)OC(C)(C)C>C([O-])([O-])=O.[Na+].[Na+].COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[OH-].[Li+]>C(C)(C)(C)OC(=O)N1CCC(=CC1)C1=NC(=CC=C1)C1=CNC=2N=CN=CC21 | 3 |
Br[CH2:2][C:3]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[NH:6][C:5](=[O:13])[CH:4]=1.[O:14]1[CH:18]=[CH:17][CH:16]=[C:15]1[CH2:19][CH2:20][CH2:21][NH:22][C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][CH:24]=1>>[O:14]1[CH:18]=[CH:17][CH:16]=[C:15]1[CH2:19][CH2:20][CH2:21][N:22]([CH2:2][C:3]1[C:12]2[C:7](=[CH:8][CH:9]=[CH:10][CH:11]=2)[NH:6][C:5](=[O:13])[CH:4]=1)[C:23]1[CH:24]=[CH:25][CH:26]=[CH:27][CH:28]=1 | 2 |
Br[CH2:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:14]=[CH:13][CH:12]=[C:11]([S:15]([NH2:18])(=[O:17])=[O:16])[CH:10]=2)=[CH:5][CH:4]=1.C(=O)(O)[O-].[Na+].[C:24]([OH:27])(=[S:26])[CH3:25]>C(#N)C>[S:15]([C:11]1[CH:10]=[C:9]([C:6]2[CH:7]=[CH:8][C:3]([CH2:2][S:26][C:24](=[O:27])[CH3:25])=[CH:4][CH:5]=2)[CH:14]=[CH:13][CH:12]=1)(=[O:17])(=[O:16])[NH2:18] | 1 |
[CH3:1][N:2]1[C:15]2[C:6]([CH:7]=[CH:8][C:9]3[NH:19][CH2:18][CH:17]=[C:11]4[NH:12][C:13](=[O:16])[C:14]=2[C:10]=34)=[C:5]([CH2:20][S:21]([CH3:24])(=[O:23])=[O:22])[CH:4]=[CH:3]1.[C:25](Cl)(=[O:28])[O:26][CH3:27].C(N(C(C)C)C(C)C)C.C(=O)([O-])[O-].[Na+].[Na+]>CN(C)C(=O)C.CO>[CH3:1][N:2]1[C:15]2[C:6]([CH:7]=[CH:8][C:9]3[N:19]([C:25]([O:26][CH3:27])=[O:28])[CH2:18][CH:17]=[C:11]4[NH:12][C:13](=[O:16])[C:14]=2[C:10]=34)=[C:5]([CH2:20][S:21]([CH3:24])(=[O:23])=[O:22])[CH:4]=[CH:3]1 | 1 |
ClC=1C=C2C(=NC(=NC2=C(C1C1=CC(=CC2=CC=CC=C12)O)F)NCCC(=O)OC)N1CCN(CC1)C(=O)OC(C)(C)C>>C(C)(C)(C)OC(=O)N1CCN(CC1)C1=NC(=NC2=C(C(=C(C=C12)Cl)C1=CC(=CC2=CC=CC=C12)O)F)NCCC(=O)O | 5 |
[CH2:1]([CH:4]1[C:10]([Cl:12])([Cl:11])[CH2:9][CH2:8][CH:7]2[C:5]1(Cl)[O:6]2)[CH:2]=[CH2:3].N1C=CC=CC=1.[ClH:20]>>[CH2:1]([C:4]1([Cl:20])[C:10]([Cl:12])([Cl:11])[CH2:9][CH2:8][CH2:7][C:5]1=[O:6])[CH:2]=[CH2:3] | 1 |
O=S1(CCN(CC1)CCN[C@]12C([C@H]3CC[C@@H]4[C@]5(CC=C(C([C@@H]5CC[C@]4([C@@]3(CC1)C)C)(C)C)C1=CCC(CC1)C(=O)OCC)C)=C(C(C2)=O)C(C)C)=O>Cl.[OH-].[Na+].O1CCOCC1>O=S1(CCN(CC1)CCN[C@]12C([C@H]3CC[C@@H]4[C@]5(CC=C(C([C@@H]5CC[C@]4([C@@]3(CC1)C)C)(C)C)C1=CCC(CC1)C(=O)O)C)=C(C(C2)=O)C(C)C)=O | 3 |
N1N=NN=C1C=1C=C(COCC2(CCN(CC2)C(=O)OC(C)(C)C)C2=CC=CC=C2)C=C(C1)C(F)(F)F>>N1N=NN=C1C=1C=C(COCC2(CCNCC2)C2=CC=CC=C2)C=C(C1)C(F)(F)F | 5 |
O=P(Cl)(Cl)Cl.FC(F)(F)C([NH:10][C:11]1[CH:16]=[CH:15][N:14]2[N:17]=[CH:18][CH:19]=[C:13]2[CH:12]=1)=O.[OH-].[Na+].CN([CH:27]=[O:28])C>CO>[NH2:10][C:11]1[CH:16]=[CH:15][N:14]2[N:17]=[CH:18][C:19]([CH:27]=[O:28])=[C:13]2[CH:12]=1 | 2 |
C1(=CC=CC=C1)C#CC(=O)O.NC=1C=C(OC=2C=CC=3N(N2)C=C(N3)NC(=O)C3CC3)C=CC1>>C1(=CC=CC=C1)C#CC(=O)NC=1C=C(OC=2C=CC=3N(N2)C=C(N3)NC(=O)C3CC3)C=CC1 | 5 |
NC=1C=CC2=C(B(OC2)O)C1.O=C(CCC1=C(C=CC(=C1)NC(C(F)(F)F)=O)S(=O)(=O)Cl)C>CC#N.CN1CCOCC1>FC(C(=O)NC1=CC(=C(C=C1)S(NC=1C=CC2=C(B(OC2)O)C1)(=O)=O)CCC(C)=O)(F)F | 3 |
ClC1=NC=C(C=C1)OCC(C)(C)C>CCO[H].O.NN>CC(COC=1C=CC(=NC1)NN)(C)C | 3 |
[Br-].C(C(C)C)[Zn+].BrC1=CC=C(C(=N1)C)N>C1CCCO1.C(O)([O-])=O.[Na+].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]>C(C(C)C)C1=CC=C(C(=N1)C)N | 3 |
[CH3:1][C:2]1[CH:3]=[C:4]([CH:9]=[CH:10][C:11]=1B1OC(C)(C)C(C)(C)O1)[C:5]([O:7][CH3:8])=[O:6].[C:21]([N:24]1[C:33]2[C:28](=[CH:29][C:30](Br)=[CH:31][CH:32]=2)[C@H:27]([NH:35][C:36](=[O:41])[O:37][CH:38]([CH3:40])[CH3:39])[CH2:26][C@@H:25]1[CH3:42])(=[O:23])[CH3:22].C(=O)(O)[O-].[Na+]>C1(P([C-]2C=CC=C2)C2C=CC=CC=2)C=CC=CC=1.[C-]1(P(C2C=CC=CC=2)C2C=CC=CC=2)C=CC=C1.[Fe+2].Cl[Pd]Cl.C(Cl)Cl.O1CCOCC1>[C:21]([N:24]1[C:33]2[C:28](=[CH:29][C:30]([C:11]3[CH:10]=[CH:9][C:4]([C:5]([O:7][CH3:8])=[O:6])=[CH:3][C:2]=3[CH3:1])=[CH:31][CH:32]=2)[C@H:27]([NH:35][C:36]([O:37][CH:38]([CH3:40])[CH3:39])=[O:41])[CH2:26][C@@H:25]1[CH3:42])(=[O:23])[CH3:22] | 2 |
CS(=O)(=O)Cl.BrC=1C=C2C(=NC1)NC(N2CCN2CCNCC2)=O>>BrC=1C=C2C(=NC1)NC(N2CCN2CCN(CC2)S(=O)(=O)C)=O | 5 |
ClC1=CC(=C(C=C1)NC(=O)C1=C(CCCC1)C(=O)O)F>O1CCOCC1.C1(CCCCC1)N=C=NC1CCCCC1>ClC1=CC(=C(C=C1)N=C1OC(C=2CCCCC12)=O)F | 3 |
[F:1][C:2]([F:17])([F:16])[C:3]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])=[CH:4][C:5]([O:7]CC)=[O:6].[H][H]>CO.[Pd]>[F:1][C:2]([F:16])([F:17])[C:3]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][CH3:15])=[CH:4][C:5]([OH:7])=[O:6] | 1 |
Cl.BrC=1C=C2C(=NC1)N=C(N2)C=2OC(=CC2)CC2=C(C=CC(=C2)Cl)OCC(C)C>COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>Cl.ClC=1C=CC(=C(C1)CC1=CC=C(O1)C=1NC=2C(=NC=C(C2)C=C)N1)OCC(C)C | 3 |
[NH2:1][C@@:2]([C:6]1[S:7][C:8]([C:11]2[CH:16]=[CH:15][C:14]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])=[C:13]([C:26]([F:29])([F:28])[F:27])[CH:12]=2)=[CH:9][N:10]=1)([CH3:5])[CH2:3][OH:4].[P:30](Cl)([O:35]CC)([O:32]CC)=[O:31].C(N(CC)CC)C.Br[Si](C)(C)C>C(Cl)Cl>[P:30]([OH:35])([OH:32])([O:4][CH2:3][C@:2]([NH2:1])([C:6]1[S:7][C:8]([C:11]2[CH:16]=[CH:15][C:14]([O:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])=[C:13]([C:26]([F:28])([F:29])[F:27])[CH:12]=2)=[CH:9][N:10]=1)[CH3:5])=[O:31] | 1 |
[CH3:1][N:2]([CH3:19])[CH2:3][CH2:4][C@H:5]1[CH2:10][CH2:9][C@H:8]([NH:11]C(=O)OC(C)(C)C)[CH2:7][CH2:6]1.[ClH:20]>>[ClH:20].[ClH:20].[CH3:19][N:2]([CH3:1])[CH2:3][CH2:4][C@H:5]1[CH2:6][CH2:7][C@H:8]([NH2:11])[CH2:9][CH2:10]1 | 1 |
CN1C(=NC=2C1=NC=CC2)S(=O)(=O)C.C(C)N1C(N(C2=NC=CC(=C21)C(F)(F)F)C2=CC=C(C=C2)O)=O>N(C)(C)C=O.[H-].[Na+]>C(C)N1C(N(C2=NC=CC(=C21)C(F)(F)F)C2=CC=C(C=C2)OC2=NC=1C(=NC=CC1)N2C)=O | 3 |
[CH3:1][S:2](Cl)(=[O:4])=[O:3].[CH:6]([O:9][C:10]([N:12]1[CH2:18][CH2:17][CH2:16][CH:15]([N:19]([C:35](=[O:37])[CH3:36])[CH2:20][C:21]2[CH:26]=[C:25]([C:27]([F:30])([F:29])[F:28])[CH:24]=[C:23]([C:31]([F:34])([F:33])[F:32])[CH:22]=2)[C:14]2[CH:38]=[C:39]([NH2:42])[CH:40]=[CH:41][C:13]1=2)=[O:11])([CH3:8])[CH3:7].N1C=CC=CC=1>ClCCl>[C:35]([N:19]([CH2:20][C:21]1[CH:22]=[C:23]([C:31]([F:34])([F:33])[F:32])[CH:24]=[C:25]([C:27]([F:30])([F:28])[F:29])[CH:26]=1)[CH:15]1[CH2:16][CH2:17][CH2:18][N:12]([C:10]([O:9][CH:6]([CH3:8])[CH3:7])=[O:11])[C:13]2[CH:41]=[CH:40][C:39]([NH:42][S:2]([CH3:1])(=[O:4])=[O:3])=[CH:38][C:14]1=2)(=[O:37])[CH3:36] | 1 |
CC=1N(C(=CC1)C)C1=NOC2=C1C=CC=C2N2C[C@@]([C@H](C2)C)(C(=O)OCC)C>O.C1CCCO1.CO[H].[OH-].[Na+].[Cl-].[NH4+].O[Li].O>CC=1N(C(=CC1)C)C1=NOC2=C1C=CC=C2N2C[C@@]([C@H](C2)C)(C(=O)O)C | 3 |
[CH3:1][N:2]1[C:10]2[CH:9]=[CH:8][C:7]3[O:11][CH2:12][CH2:13][CH2:14][C:6]=3[C:5]=2[C:4]([CH:15]=O)=[CH:3]1.C([O-])(=O)C.[NH4+].O.[N+:23]([CH2:26][CH3:27])([O-:25])=[O:24]>>[N+:23]([C:26]([CH3:27])=[CH:15][C:4]1[C:5]2[C:6]3[CH2:14][CH2:13][CH2:12][O:11][C:7]=3[CH:8]=[CH:9][C:10]=2[N:2]([CH3:1])[CH:3]=1)([O-:25])=[O:24] | 1 |
BrC1=CC=CC2=C1N(C(=N2)NC2=C(C=C(C=C2)Cl)Cl)CCCC(=O)OCC>>BrC1=CC=CC2=C1N(C(=N2)NC2=C(C=C(C=C2)Cl)Cl)CCCCO | 5 |
[ClH:1].[Cl:2][C:3]1[CH:8]=[CH:7][CH:6]=[C:5]([Cl:9])[C:4]=1[C:10]1[NH:11][C:12]2[CH:18]=[C:17]([C:19](Cl)=[O:20])[CH:16]=[CH:15][C:13]=2[N:14]=1.C([N:24]([CH2:27][CH3:28])CC)C.C([O:32][CH2:33][CH3:34])(=O)C>C1COCC1>[Cl:1][C:3]1[CH:8]=[CH:7][C:34]([C:33](=[O:32])[CH:27]([NH:24][C:19]([C:17]2[CH:16]=[CH:15][C:13]3[N:14]=[C:10]([C:4]4[C:3]([Cl:2])=[CH:8][CH:7]=[CH:6][C:5]=4[Cl:9])[NH:11][C:12]=3[CH:18]=2)=[O:20])[CH3:28])=[CH:5][CH:4]=1 | 1 |
Br[CH2:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.[F:9][C:10]1[CH:11]=[C:12]([OH:19])[CH:13]=[CH:14][C:15]=1[N+:16]([O-:18])=[O:17].C(=O)([O-])[O-].[K+].[K+].[I-].[Na+]>CC(C)=O>[CH2:2]([O:19][C:12]1[CH:13]=[CH:14][C:15]([N+:16]([O-:18])=[O:17])=[C:10]([F:9])[CH:11]=1)[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1 | 1 |
COCC=1N=C(OC1)CN1N=CC(=N1)[N+](=O)[O-]>O.[Fe].CCO[H].[Cl-].[NH4+]>COCC=1N=C(OC1)CN1N=CC(=N1)N | 3 |
NOS(=O)(=O)O.NC=1NC2=C(N1)C=CC=C2>O.[OH-].[K+]>NN1C(=NC2=C1C=CC=C2)N | 3 |
ClC(Cl)(OC(OC(Cl)(Cl)Cl)=O)Cl.NC1CCN(CC1)C(=O)OC(C)(C)C.FC=1C=C(C=CC1)C1=NN2C(CNCC2)=C1C(=O)N>C1CCCO1.CCN(CC)CC>C(N)(=O)C=1C(=NN2C1CN(CC2)C(=O)NC2CCN(CC2)C(=O)OC(C)(C)C)C2=CC(=CC=C2)F | 3 |
C1(=CC=CC2=CC=CC=C12)C(=O)Cl.[I-].C(CCC)[N+]1=C(SC(=C1C)C)C>C1(=CC=NC=C1)N(C)C.CCN(CC)CC>C(CCC)N1/C(/SC(=C1C)C)=C/C(=O)C1=CC=CC2=CC=CC=C12 | 3 |
CC1(OB(OC1(C)C)C1=CC=C(OC2=NC3=C(N2)C=CC=C3)C=C1)C.BrC=1N(N=C2C1N=CC=C2)CC>>N1C(=NC2=C1C=CC=C2)OC2=CC=C(C=C2)C=2N(N=C1C2N=CC=C1)CC | 5 |
I[C:2]1[CH:20]=[CH:19][C:5]([C:6]([NH:8][C:9]2[CH:10]=[CH:11][CH:12]=[C:13]3[C:18]=2[N:17]=[CH:16][CH:15]=[CH:14]3)=[O:7])=[CH:4][CH:3]=1.C(=O)([O-])[O-].[Cs+].[Cs+].CC1(C)C2C(=C(P(C3C=CC=CC=3)C3C=CC=CC=3)C=CC=2)OC2C(P(C3C=CC=CC=3)C3C=CC=CC=3)=CC=CC1=2.[CH3:69][C:70]1([CH3:83])[O:74][C:73](=[O:75])[NH:72][C@H:71]1[C:76]1[CH:81]=[CH:80][CH:79]=[CH:78][C:77]=1[CH3:82]>O1CCOCC1.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]>[CH3:69][C:70]1([CH3:83])[O:74][C:73](=[O:75])[N:72]([C:2]2[CH:20]=[CH:19][C:5]([C:6]([NH:8][C:9]3[CH:10]=[CH:11][CH:12]=[C:13]4[C:18]=3[N:17]=[CH:16][CH:15]=[CH:14]4)=[O:7])=[CH:4][CH:3]=2)[C@H:71]1[C:76]1[CH:81]=[CH:80][CH:79]=[CH:78][C:77]=1[CH3:82] | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[S:15][C:16]([C:32](O)=[O:33])=[C:17]([C:19]3[CH:24]=[CH:23][C:22]([O:25][C:26]4[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=4)=[CH:21][CH:20]=3)[N:18]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[CH3:35][N:36](C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CN>C(Cl)Cl>[CH3:35][NH:36][C:32]([C:16]1[S:15][C:14]([N:11]2[CH2:10][CH2:9][N:8]([C:6]([O:5][C:1]([CH3:4])([CH3:3])[CH3:2])=[O:7])[CH2:13][CH2:12]2)=[N:18][C:17]=1[C:19]1[CH:24]=[CH:23][C:22]([O:25][C:26]2[CH:27]=[CH:28][CH:29]=[CH:30][CH:31]=2)=[CH:21][CH:20]=1)=[O:33] | 2 |
CN1C(C=C(C=C1)B(O)O)=O.ClC=1C=CC2=C(N([C@H]3CCN2C3)C(=O)NC=3C=NC=CC3)N1>>CN1C(C=C(C=C1)C=1C=CC2=C(N([C@H]3CCN2C3)C(=O)NC=3C=NC=CC3)N1)=O | 5 |
C(C)I.FC=1C=C(C=O)C=CC1O>>C(C)OC1=C(C=C(C=O)C=C1)F | 5 |
C(C(O)C(O)C(=O)O)(=O)O.ClC=1C=C(CN2CC(OCC2)CN)C=CC1Cl>CO[H]>ClC=1C=C(CN2C[C@H](OCC2)CN)C=CC1Cl | 3 |
[NH2:1][C:2]1[S:3][C:4]2[CH:10]=[C:9]([C:11]3[S:12][C:13]4[CH:19]=[C:18]([CH3:20])[CH:17]=[CH:16][C:14]=4[N:15]=3)[CH:8]=[CH:7][C:5]=2[N:6]=1.[CH3:21][I:22].O>CS(C)=O>[I-:22].[NH2:1][C:2]1[S:3][C:4]2[CH:10]=[C:9]([C:11]3[S:12][C:13]4[CH:19]=[C:18]([CH3:20])[CH:17]=[CH:16][C:14]=4[N:15]=3)[CH:8]=[CH:7][C:5]=2[N+:6]=1[CH3:21] | 1 |
FC1=CC=C(C=O)C=C1.O=S1(N=C(C2=C1C=CC=C2)N(N)C)=O>O1CCOCC1>FC1=CC=C(C=C1)\C=N\N(C1=NS(C2=C1C=CC=C2)(=O)=O)C | 3 |
[CH3:1][O:2][C:3]1[CH:4]=[C:5]([CH:8]=[C:9]([O:13][CH3:14])[C:10]=1[O:11][CH3:12])[CH:6]=[O:7].[C-:15]#[C-:16].[Na+].[Na+]>C1COCC1>[CH3:14][O:13][C:9]1[CH:8]=[C:5]([CH:6]([OH:7])[C:15]#[CH:16])[CH:4]=[C:3]([O:2][CH3:1])[C:10]=1[O:11][CH3:12] | 1 |
[CH3:1][O:2][C:3]1[CH:10]=[CH:9][C:6]([CH2:7]Br)=[CH:5][CH:4]=1.[OH:11][C:12]1[C:20]2[N:19]=[N:18][NH:17][C:16]=2[CH:15]=[CH:14][CH:13]=1.C(=O)([O-])[O-].[Cs+].[Cs+].[Cl-].[NH4+]>CN(C=O)C>[CH3:1][O:2][C:3]1[CH:10]=[CH:9][C:6]([CH2:7][N:17]2[C:16]3[CH:15]=[CH:14][CH:13]=[C:12]([OH:11])[C:20]=3[N:19]=[N:18]2)=[CH:5][CH:4]=1 | 1 |
ClC1=CC(=C(C=O)C=C1)C.ON=C(N)C=1OC=CC1>>ClC1=CC(=C(C=C1)C1NC(=NO1)C=1OC=CC1)C | 5 |
[N:1]1([C:6]2[C:7]3[N:8]([C:16]([C:19]([OH:21])=O)=[CH:17][N:18]=3)[CH:9]=[C:10]([C:12]([F:15])([F:14])[F:13])[CH:11]=2)[CH:5]=[N:4][CH:3]=[N:2]1.FC(F)(F)C(O)=O.[CH:29]12[CH2:35][CH:33]([NH:34]1)[CH2:32][O:31][CH2:30]2.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(=O)(O)[O-].[Na+]>CN(C=O)C.C(N(CC)CC)C>[CH:33]12[CH2:35][CH:29]([N:34]1[C:19]([C:16]1[N:8]3[CH:9]=[C:10]([C:12]([F:14])([F:13])[F:15])[CH:11]=[C:6]([N:1]4[CH:5]=[N:4][CH:3]=[N:2]4)[C:7]3=[N:18][CH:17]=1)=[O:21])[CH2:30][O:31][CH2:32]2 | 1 |
C(CCCC)S(=O)(=O)N.C(CCC)OC1=NN(C(=C1)CCCC(=O)O)CC1=C(C=C(C=C1)Cl)Cl>>C(CCC)OC1=NN(C(=C1)CCCC(=O)NS(=O)(=O)CCCCC)CC1=C(C=C(C=C1)Cl)Cl | 5 |
Cl.CC1=CC=CC(=N1)CO>>ClCC1=NC(=CC=C1)C | 5 |
[F:1][C:2]([F:18])([F:17])[C:3]1[CH:4]=[CH:5][C:6]([O:9][C:10]2[CH:15]=[CH:14][C:13]([OH:16])=[CH:12][CH:11]=2)=[N:7][CH:8]=1.[I-].[CH2:20]1[C:28]2[C:23](=[CH:24][CH:25]=[CH:26][CH:27]=2)[CH2:22][N:21]1[C:29](N1C=C[N+](C)=C1)=[O:30]>>[F:18][C:2]([F:1])([F:17])[C:3]1[CH:4]=[CH:5][C:6]([O:9][C:10]2[CH:11]=[CH:12][C:13]([O:16][C:29]([N:21]3[CH2:22][C:23]4[C:28](=[CH:27][CH:26]=[CH:25][CH:24]=4)[CH2:20]3)=[O:30])=[CH:14][CH:15]=2)=[N:7][CH:8]=1 | 1 |
C(C=1C(S)=CC=CC1)(=O)O.C(C)(=O)NC1=CC=C(C(=O)Cl)C=C1>C1CCCO1.c1ccncc1>C(C)(=O)NC1=CC=C(C(=O)SC2=C(C(=O)O)C=CC=C2)C=C1 | 3 |
[C:1](Cl)([O:3][CH2:4][C:5]([Cl:8])([Cl:7])[Cl:6])=[O:2].[I:10][C:11]1[CH:19]=[C:15]([C:16]([OH:18])=[O:17])[C:14]([NH2:20])=[CH:13][CH:12]=1.N1C=CC=CC=1>ClCCl>[I:10][C:11]1[CH:12]=[CH:13][C:14]([NH:20][C:1]([O:3][CH2:4][C:5]([Cl:8])([Cl:7])[Cl:6])=[O:2])=[C:15]([CH:19]=1)[C:16]([OH:18])=[O:17] | 1 |
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)O[C@@H]1[C@@H](CCCC1)CC(=O)OCC.CN(C)CC1=C(C=CC=2C(=NOC21)CCC2CCNCC2)OCC2=CC=C(C#N)C=C2>>CN(C)CC1=C(C=CC=2C(=NOC21)CCC2CCN(CC2)C[C@H]2[C@H](CCCC2)CO[Si](C2=CC=CC=C2)(C2=CC=CC=C2)C(C)(C)C)OCC2=CC=C(C#N)C=C2 | 5 |
C1(CCC1)=O.OC1CCNCC1>C1CCCO1.C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>C1(CCC1)N1CCC(CC1)O | 3 |
ClC1=NC(=CC=C1)OC.CON(C(C(C)C)=O)C>C1CCCO1.C(C)(C)(C)[Li]>ClC1=CC=C(C(=N1)OC)C(C(C)C)=O | 3 |
[CH2:1]([Si:5]([CH3:11])([CH3:10])[CH2:6][CH2:7][CH2:8][OH:9])[CH2:2][CH2:3][CH3:4].N1C=CC=CC=1.[C:18]1([CH3:28])[CH:23]=[CH:22][C:21]([S:24](Cl)(=[O:26])=[O:25])=[CH:20][CH:19]=1.Cl>O>[C:18]1([CH3:28])[CH:23]=[CH:22][C:21]([S:24]([O:9][CH2:8][CH2:7][CH2:6][Si:5]([CH2:1][CH2:2][CH2:3][CH3:4])([CH3:10])[CH3:11])(=[O:26])=[O:25])=[CH:20][CH:19]=1 | 1 |
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