smiles stringlengths 15 6.12k | source_id int64 1 5 |
|---|---|
[CH:1]1([NH2:4])[CH2:3][CH2:2]1.[F:5][C:6]1[C:23]([F:24])=[C:22]([F:25])[C:21]([F:26])=[CH:20][C:7]=1[C:8]([C:10](=[CH:16]OCC)[C:11]([O:13][CH2:14][CH3:15])=[O:12])=[O:9]>C(O)C>[F:5][C:6]1[C:23]([F:24])=[C:22]([F:25])[C:21]([F:26])=[CH:20][C:7]=1[C:8]([C:10](=[CH:16][NH:4][CH:1]1[CH2:3][CH2:2]1)[C:11]([O:13][CH2:14][CH3:15])=[O:12])=[O:9] | 1 |
[F:1][C:2]1([F:30])[CH2:7][CH2:6][N:5]([C:8]([C:10]2[NH:11][C:12]3[C:17]([CH:18]=2)=[CH:16][C:15]([C:19]([N:21]2[CH2:26][CH2:25][CH:24]([N:27]([CH3:29])[CH3:28])[CH2:23][CH2:22]2)=[O:20])=[CH:14][CH:13]=3)=O)[CH2:4][CH2:3]1.[Cl:31][C:32]1[CH:37]=[CH:36][C:35](B(O)O)=[CH:34][CH:33]=1.N1C=CC=CC=1>ClCCl.C([O-])(=O)C.[Cu+2].C([O-])(=O)C>[Cl:31][C:32]1[CH:37]=[CH:36][C:35]([N:11]2[C:12]3[C:17](=[CH:16][C:15]([C:19]([N:21]4[CH2:26][CH2:25][CH:24]([N:27]([CH3:29])[CH3:28])[CH2:23][CH2:22]4)=[O:20])=[CH:14][CH:13]=3)[CH:18]=[C:10]2[CH2:8][N:5]2[CH2:6][CH2:7][C:2]([F:30])([F:1])[CH2:3][CH2:4]2)=[CH:34][CH:33]=1 | 1 |
[CH:1]12[CH2:7][CH:4]([CH2:5][CH2:6]1)[CH2:3][CH:2]2[NH:8][C:9]1[S:10][C:11]([CH2:16][CH2:17][OH:18])([CH3:15])[C:12](=[O:14])[N:13]=1.Cl.[C:20](Cl)(=[O:27])[C:21]1[CH:26]=[CH:25][N:24]=[CH:23][CH:22]=1.C(N(CC)C(C)C)(C)C>C(Cl)Cl>[C:20]([O:18][CH2:17][CH2:16][C:11]1([CH3:15])[S:10][C:9]([NH:8][CH:2]2[CH2:3][CH:4]3[CH2:7][CH:1]2[CH2:6][CH2:5]3)=[N:13][C:12]1=[O:14])(=[O:27])[C:21]1[CH:26]=[CH:25][N:24]=[CH:23][CH:22]=1 | 1 |
BrCCCBr.C(C#C)OC1OCCCC1>>BrCCCC#CCOC1OCCCC1 | 5 |
NC1=C(SC=C1Br)C(=O)OC>C(=O)N>BrC1=CSC2=C1N=CNC2=O | 3 |
CC1=C(C2=NC(=CC=C2N1C/C(=C/CNC(OC(C)(C)C)=O)/F)C)CCC1=CC=C(C=C1)S(=O)(=O)C>C(C)OCC.CO[H].Cl.[HH]>Cl.Cl.CC1=C(C2=NC(=CC=C2N1C/C(=C/CN)/F)C)CCC1=CC=C(C=C1)S(=O)(=O)C | 3 |
[Cl:1][C:2]1[C:3]([C:27]([F:30])([F:29])[F:28])=[N:4][N:5]([CH2:8][C:9]([N:11]2[CH2:16][CH2:15][C:14]([C:20]3[CH:25]=[CH:24][C:23]([Cl:26])=[CH:22][CH:21]=3)([C:17]([OH:19])=O)[CH2:13][CH2:12]2)=[O:10])[C:6]=1[CH3:7].[CH3:31][N:32]1[CH2:37][CH2:36][NH:35][CH2:34][CH2:33]1.F[P-](F)(F)(F)(F)F.N1(O[P+](N(C)C)(N(C)C)N(C)C)C2C=CC=CC=2N=N1>CN1C(=O)CCC1>[Cl:1][C:2]1[C:3]([C:27]([F:29])([F:28])[F:30])=[N:4][N:5]([CH2:8][C:9]([N:11]2[CH2:16][CH2:15][C:14]([C:20]3[CH:25]=[CH:24][C:23]([Cl:26])=[CH:22][CH:21]=3)([C:17]([N:35]3[CH2:36][CH2:37][N:32]([CH3:31])[CH2:33][CH2:34]3)=[O:19])[CH2:13][CH2:12]2)=[O:10])[C:6]=1[CH3:7] | 1 |
FC1=CC=C(C=C1)C(CC1=C(C=CC(=C1)C=1SC=CC1)OC)O>ClCCl.C=1C=C[NH+]=CC1.[O-][Cr](=O)(=O)Cl>FC1=CC=C(C=C1)C(CC1=C(C=CC(=C1)C=1SC=CC1)OC)=O | 3 |
[C:1]1(=[O:11])[NH:5][C:4](=[O:6])[C:3]2=[CH:7][CH:8]=[CH:9][CH:10]=[C:2]12.C(O)(=O)C1C(=CC=CC=1)C(O)=[O:16].C1(=O)OC(=O)C2=CC=CC=C12>Cl>[OH:16][N:5]1[C:1](=[O:11])[C:2]2=[CH:10][CH:9]=[CH:8][CH:7]=[C:3]2[C:4]1=[O:6] | 1 |
BrCCCl.[N+](=O)([O-])C1=C(C=CC=C1)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>[N+](=O)([O-])C1=C(OCCCl)C=CC=C1 | 3 |
[N:1]1[CH:6]=[CH:5][CH:4]=[CH:3][C:2]=1[C:7]1[C:12]2[N:13]=[CH:14][CH:15]=[CH:16][C:11]=2[C:10](=[O:17])[NH:9][N:8]=1.[CH2:18](Br)[CH3:19].C(=O)([O-])[O-].[K+].[K+].C1C(O)=CC(O)=C(C2C(=O)C3C(=CC(O)=C(CC=C(CO)CO)C=3O)OC=2)C=1>[Cl-].[Na+].O.CN(C)C=O>[CH2:18]([N:9]1[C:10](=[O:17])[C:11]2[CH:16]=[CH:15][CH:14]=[N:13][C:12]=2[C:7]([C:2]2[CH:3]=[CH:4][CH:5]=[CH:6][N:1]=2)=[N:8]1)[CH3:19] | 1 |
NCCOCCOCCOCCN=[N+]=[N-].C(C=C)OC([C@H](CC1=CC=C(OC(=O)NCC[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C=C1)NC(=O)OC(C)(C)C)=O>>C(C=C)OC([C@@H](NC(=O)OC(C)(C)C)CC1=CC=C(C=C1)OC(NCC[C@@H](C(NCCOCCOCCOCCN=[N+]=[N-])=O)NC(=O)OC(C)(C)C)=O)=O | 5 |
[Cl:1][C:2]1[CH:3]=[C:4]([CH:33]=[CH:34][CH:35]=1)[CH2:5][N:6]1[C:14]2[C:9](=[CH:10][C:11]([CH2:15][O:16][CH2:17][CH2:18]Cl)=[CH:12][CH:13]=2)[C:8]([S:20]([C:23]2[C:32]3[C:27](=[CH:28][CH:29]=[CH:30][CH:31]=3)[CH:26]=[CH:25][CH:24]=2)(=[O:22])=[O:21])=[N:7]1.[CH3:36][NH:37][CH3:38]>CS(C)=O.O>[Cl:1][C:2]1[CH:3]=[C:4]([CH:33]=[CH:34][CH:35]=1)[CH2:5][N:6]1[C:14]2[C:9](=[CH:10][C:11]([CH2:15][O:16][CH2:17][CH2:18][N:37]([CH3:38])[CH3:36])=[CH:12][CH:13]=2)[C:8]([S:20]([C:23]2[C:32]3[C:27](=[CH:28][CH:29]=[CH:30][CH:31]=3)[CH:26]=[CH:25][CH:24]=2)(=[O:21])=[O:22])=[N:7]1 | 1 |
[Si:1]([O:18][CH2:19][C:20]1[C:21]([N:35]2[CH2:40][C@@H:39]([CH3:41])[O:38][C@H:37]([CH3:42])[CH2:36]2)=[C:22]([F:34])[C:23]2[O:27][N:26]=[C:25]([C:28]([O:30]CC)=O)[C:24]=2[CH:33]=1)([C:14]([CH3:17])([CH3:16])[CH3:15])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[NH3:43]>>[Si:1]([O:18][CH2:19][C:20]1[C:21]([N:35]2[CH2:36][C@@H:37]([CH3:42])[O:38][C@H:39]([CH3:41])[CH2:40]2)=[C:22]([F:34])[C:23]2[O:27][N:26]=[C:25]([C:28]([NH2:43])=[O:30])[C:24]=2[CH:33]=1)([C:14]([CH3:15])([CH3:17])[CH3:16])([C:8]1[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1 | 1 |
NC=1C(=NC=CC1)OC.ClC1=NC=C2N(C(N(C2=N1)C1CCOCC1)=O)COCC[Si](C)(C)C>>COC1=NC=CC=C1NC1=NC=C2N(C(N(C2=N1)C1CCOCC1)=O)COCC[Si](C)(C)C | 5 |
C[Si](C)(C)Cl.C(C1=CC=CC=C1)N1C([C@@H](NC12CCN(CC2)C(C2=CC=C(C=C2)F)=O)CC2=CC=CC=C2)=O>O.C(C)OCC.C(C)C(=O)C>Cl.C(C1=CC=CC=C1)N1C([C@@H](NC12CCN(CC2)C(C2=CC=C(C=C2)F)=O)CC2=CC=CC=C2)=O | 3 |
S(OC)(O[CH3:5])(=O)=O.[CH2:8]([O:10][C:11]([C:13]1[NH:14][CH:15]=[C:16]([CH3:19])[C:17]=1[OH:18])=[O:12])[CH3:9].[OH-].[Na+]>O>[CH3:5][O:18][C:17]1[C:16]([CH3:19])=[CH:15][NH:14][C:13]=1[C:11]([O:10][CH2:8][CH3:9])=[O:12] | 1 |
[Cl:1][C:2]1[CH:12]=[CH:11][C:5]([CH2:6][NH:7][CH2:8]C[OH:10])=[CH:4][CH:3]=1.[C:13]([O:16][CH2:17]/[CH:18]=[CH:19]\[CH2:20][O:21][C:22](=O)[CH3:23])(=[O:15])C.C(N(CC)CC)C.I[C:33]1[CH:38]=[CH:37][CH:36]=C[C:34]=1[O:39][CH3:40].C(N(C(C)C)CC)(C)C.CN([CH:53]=[O:54])C>C1COCC1.CCOCC>[C:53]([OH:54])(=[O:10])[C:13]([OH:16])=[O:15].[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([CH2:6][N:7]2[CH2:23][CH2:22][O:21][CH:20]([CH:19]=[CH:18][C:17]3[CH:36]=[CH:37][CH:38]=[CH:33][C:34]=3[O:39][CH3:40])[CH2:8]2)=[CH:11][CH:12]=1 | 1 |
C(C1=CC=CC=C1)NC(=O)C1C2=CC=CC=C2OC=2C=CC=CC12>>C(C1=CC=CC=C1)NCC1C2=CC=CC=C2OC=2C=CC=CC12 | 5 |
C(C1=CC=CC=C1)OC1CC(C1)C(C)=O>O.C1CCCO1.[H-].[Na+].CCOC(=O)CP(=O)(OCC)OCC>C(C1=CC=CC=C1)OC1CC(C1)/C(=C/C(=O)OCC)/C | 3 |
C(C1=CC=CC=C1)OC(=O)N[C@H](C(=O)O)C.C(C)(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)OC)C(=O)OC>ClCCl.C(=O)(C(F)(F)F)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>COC([C@H](CC1=CC=C(C=C1)OC)NC([C@H](C)NC(=O)OCC1=CC=CC=C1)=O)=O | 3 |
N[C@@H]1[C@H]([C@@H](N(C2=CC=C(C=C12)N1CCOCC1)C(C)=O)C)C>CO[H].O1CCOCC1.BrC1=CC=CC=C1.[Pd].[Pd].O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.O=C(\C=C\c1ccccc1)\C=C\c2ccccc2.CC(C)(C)[O-].[Na+].C1(CCCCC1)P(C1=C(C=CC=C1)C1=C(C=CC=C1)N(C)C)C1CCCCC1>C[C@@H]1N(C2=CC=C(C=C2[C@@H]([C@H]1C)NC1=CC=CC=C1)N1CCOCC1)C(C)=O | 3 |
[N+](=O)([O-])C=1C=CC(=C(C(=O)O)C1Cl)Cl>>NC=1C=CC(=C(C(=O)O)C1Cl)Cl | 5 |
C(#N)C=1C=2N(N=C(C1)C1=CC(=C3C=C(N=NC3=C1)C1CCN(CC1)C(=O)OC(C)(C)C)F)C=C(N2)C>Cl.O1CCOCC1>Cl.FC1=C2C=C(N=NC2=CC(=C1)C=1C=C(C=2N(N1)C=C(N2)C)C#N)C2CCNCC2 | 3 |
C(C1=CC=CC=C1)NC(C)(C(C)C)[2H]>CO[H].Cl.[Pd].C(=O)[O-].[NH4+]>CC(C(C)(N)[2H])C | 3 |
C(C)(C)(C)OCCOC=1C=C(N)C=C(C1)OC.BrC(C(=O)C1=CNC2=CC=C(C=C12)F)C1=CC=CC=C1>>C(C)(C)(C)OCCOC=1C=C(C=C(C1)OC)NC(C(=O)C1=CNC2=CC=C(C=C12)F)C1=CC=CC=C1 | 5 |
C(C)(C)(C)OC(=O)N[C@H](C)C=1OC=C(N1)C(=O)OC>>OCC=1N=C(OC1)[C@@H](C)NC(OC(C)(C)C)=O | 5 |
O1CCOC=2C=NC(=CC21)CN(C(OC(C)(C)C)=O)C2CCN(CC2)CCN2C(C=CC1=NC(=C(C=C21)F)C)=O>>Cl.O1CCOC=2C=NC(=CC21)CNC2CCN(CC2)CCN2C(C=CC1=NC(=C(C=C21)F)C)=O | 5 |
COC(=O)C1=CC(=C(C=C1)C1=CC=CC=C1)C>>CC1=C(C=CC(=C1)C(=O)O)C1=CC=CC=C1 | 5 |
C(C)(C)(C)OC(NCC1=CC=C(C=C1)COC1=CC=C(C=C1)NC(=O)NCC=1C=C2CN(C(C2=CC1)=O)[C@@]1(C(NC(CC1)=O)=O)C)=O>CC#N.Cl.O1CCOCC1.C(O)([O-])=O.[Na+]>NCC1=CC=C(C=C1)COC1=CC=C(C=C1)NC(=O)NCC=1C=C2CN(C(C2=CC1)=O)C1(C(NC(CC1)=O)=O)C.NCC1=CC=C(C=C1)COC1=CC=C(C=C1)NC(=O)NCC=1C=C2CN(C(C2=CC1)=O)[C@@]1(C(NC(CC1)=O)=O)C | 3 |
BrC1=C(C=O)C=CC(=C1)[N+](=O)[O-]>C1(=CC=CC=C1)C.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>[N+](=O)([O-])C1=CC(=C(C=O)C=C1)C=C | 3 |
[H-].[Na+].[CH2:3]([N:10]1[CH2:15][CH2:14][N:13]([C:16](=[O:23])[CH2:17][C:18]([O:20][CH2:21][CH3:22])=[O:19])[CH2:12][CH2:11]1)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.Br[CH2:25][CH2:26][CH:27]1[O:31][CH2:30][CH2:29][O:28]1.O>CN(C)C=O>[CH2:3]([N:10]1[CH2:11][CH2:12][N:13]([C:16](=[O:23])[CH:17]([C:18]([O:20][CH2:21][CH3:22])=[O:19])[CH2:25][CH2:26][CH:27]2[O:31][CH2:30][CH2:29][O:28]2)[CH2:14][CH2:15]1)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1 | 1 |
S1C(=NC2=C1C=CC=C2)C(=O)OCC>>S1C(=NC2=C1C=CC=C2)C(=O)NN | 5 |
OC=1C=C(C=CC1)\C=C\C(=O)C1=CC=CC=C1>CCO[H].O.NN>OC=1C=C(C=CC1)C1CC(=NN1)C1=CC=CC=C1 | 3 |
[Cl:1][CH2:2][C:3]([N:5]([CH3:15])[C:6]1[CH:14]=[CH:13][C:9]([C:10]([OH:12])=O)=[CH:8][CH:7]=1)=[O:4].[C:16]([O:20][C:21](=[O:30])[NH:22][CH:23]1[CH2:28][CH2:27][CH2:26][CH2:25][CH:24]1[NH2:29])([CH3:19])([CH3:18])[CH3:17].CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.CCN(C(C)C)C(C)C>CN(C=O)C>[C:16]([O:20][C:21](=[O:30])[NH:22][CH:23]1[CH2:28][CH2:27][CH2:26][CH2:25][CH:24]1[NH:29][C:10](=[O:12])[C:9]1[CH:8]=[CH:7][C:6]([N:5]([C:3](=[O:4])[CH2:2][Cl:1])[CH3:15])=[CH:14][CH:13]=1)([CH3:19])([CH3:17])[CH3:18] | 1 |
Cl[CH2:2][C:3]#[N:4].BrCC1CCCCO1.[NH:13]1[C:21]2[C:16](=[CH:17][CH:18]=[CH:19][CH:20]=2)[C:15]2([C:25]3=[CH:26][C:27]4[O:31][CH2:30][O:29][C:28]=4[CH:32]=[C:24]3[O:23][CH2:22]2)[C:14]1=[O:33].N1C2C(=CC=CC=2)C2(COC3C=C4C(=CC2=3)CCO4)C1=O>>[O:33]=[C:14]1[C:15]2([C:25]3=[CH:26][C:27]4[O:31][CH2:30][O:29][C:28]=4[CH:32]=[C:24]3[O:23][CH2:22]2)[C:16]2[C:21](=[CH:20][CH:19]=[CH:18][CH:17]=2)[N:13]1[CH2:2][C:3]#[N:4] | 1 |
C1CCNC(=O)[C@H](C1)N.[N+](=O)([O-])C1=C2C(C(=O)OC2=O)=CC=C1>CC#N.C(C)(=O)O.C(C)(=O)[O-].[Na+]>[N+](=O)([O-])C1=C2C(N(C(C2=CC=C1)=O)[C@@H]1C(NCCCC1)=O)=O | 3 |
C(C)(C)(C)OC(=O)NC[C@H](N(CC(C)C)C(=O)C=1C(=NC(=NC1)C(C)(C)C)NCC=1OC=CC1)C(=O)O>CCN(CC)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C.ClCCCl.CN(C)C=O>NC([C@H](CNC(OC(C)(C)C)=O)N(CC(C)C)C(=O)C=1C(=NC(=NC1)C(C)(C)C)NCC=1OC=CC1)=O | 3 |
C(C)C1=C(C(=CC=C1)C)O>>BrC1=CC(=C(C(=C1)C)O)CC | 5 |
ClC1=NC=C(C=C1)C=O.[Br-].C1(=CC=CC=C1)[P+](CC1=CC=C(C=C1)C(F)(F)F)(C1=CC=CC=C1)C1=CC=CC=C1>CCO[H].CC(C)(C)[O-].[Na+]>ClC1=NC=C(C=C1)\C=C\C1=CC=C(C=C1)C(F)(F)F | 3 |
[C-]#N.[Zn+2].[C-]#N.FC(S(=O)(=O)OC=1C=CC2=C(CCO[C@H]2CCO[Si](C)(C)C(C)(C)C)C1Cl)(F)F>>[Si](C)(C)(C(C)(C)C)OCC[C@@H]1OCCC2=C1C=CC(=C2Cl)C#N | 5 |
N1(CCOC2C=CC(NC3SC(C4C=CC(O)=CC=4)=CN=3)=CC=2)CCCC1.C[O:29][C:30]1[CH:35]=[CH:34][C:33]([NH:36][C:37]2[S:38][C:39]([C:42]3[CH:46]=[CH:45][S:44][CH:43]=3)=[CH:40][N:41]=2)=[C:32]([C:47]([F:50])([F:49])[F:48])[CH:31]=1.B(Br)(Br)Br>C(Cl)Cl.CO>[S:44]1[CH:45]=[CH:46][C:42]([C:39]2[S:38][C:37]([NH:36][C:33]3[CH:34]=[CH:35][C:30]([OH:29])=[CH:31][C:32]=3[C:47]([F:50])([F:49])[F:48])=[N:41][CH:40]=2)=[CH:43]1 | 1 |
ClC(C(=O)Cl)C1=CC=CC=C1.Cl.NC1=C(C(=CC=C1)Br)O>>BrC=1C(=C(C=CC1)NC(C(C1=CC=CC=C1)Cl)=O)O | 5 |
[CH2:1](Cl)[CH:2]=[CH2:3].Cl[SiH:6]1[CH2:11][CH2:10][CH:9]([C:12]2[CH:17]=[CH:16][C:15]([C:18]3[CH:23]=[CH:22][C:21]([CH2:24][CH2:25][CH3:26])=[CH:20][CH:19]=3)=[CH:14][CH:13]=2)[CH2:8][CH2:7]1>>[CH:3]([Si@H:6]1[CH2:11][CH2:10][C@H:9]([C:12]2[CH:17]=[CH:16][C:15]([C:18]3[CH:19]=[CH:20][C:21]([CH2:24][CH2:25][CH3:26])=[CH:22][CH:23]=3)=[CH:14][CH:13]=2)[CH2:8][CH2:7]1)=[CH:2][CH3:1] | 1 |
[CH2:1]([CH:11]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[CH2:12]Br)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10].[Mg].[Br:27][CH2:28][CH2:29][CH2:30][CH2:31][CH2:32]Br>[Cu](Br)Br.[Cl-].[Li+].O1CCCC1>[CH2:1]([CH:11]([CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH2:23][CH2:24][CH3:25])[CH2:12][CH2:32][CH2:31][CH2:30][CH2:29][CH2:28][Br:27])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH2:8][CH2:9][CH3:10] | 2 |
N#CN.Cl.NC1=C(C=C(C(=O)O)C=C1)C>CCO[H]>Cl.N(C(=N)N)C1=C(C=C(C(=O)O)C=C1)C | 3 |
CI.C(C1=CC=CC=C1)OC[C@@H]1O[C@@H](CN(C1)C(=O)OC(C)(C)C)C(=O)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C1=CC=CC=C1)OC[C@@H]1O[C@@H](CN(C1)C(=O)OC(C)(C)C)C(=O)OC | 3 |
[C:1]([C:5]1[CH:10]=[CH:9][C:8]([C:11]2[C:20]3[C:19]([CH3:22])([CH3:21])[CH2:18][CH2:17][C:16]([CH3:24])([CH3:23])[C:15]=3[CH:14]=[C:13]([C:25](=[O:27])[CH3:26])[CH:12]=2)=[CH:7][CH:6]=1)([CH3:4])([CH3:3])[CH3:2].[C:28]([C:31]1[CH:38]=[CH:37][C:34]([CH:35]=O)=[CH:33][CH:32]=1)([OH:30])=[O:29].[OH-].[K+]>>[C:1]([C:5]1[CH:6]=[CH:7][C:8]([C:11]2[C:20]3[C:19]([CH3:22])([CH3:21])[CH2:18][CH2:17][C:16]([CH3:24])([CH3:23])[C:15]=3[CH:14]=[C:13]([C:25](=[O:27])/[CH:26]=[CH:35]/[C:34]3[CH:37]=[CH:38][C:31]([C:28]([OH:30])=[O:29])=[CH:32][CH:33]=3)[CH:12]=2)=[CH:9][CH:10]=1)([CH3:4])([CH3:2])[CH3:3] | 1 |
C(=O)([O-])[O-].[K+].[K+].Br[CH2:8][CH2:9][CH2:10]Br.[OH:12][C:13]1[CH:14]=[C:15]([CH:18]=[C:19]([O:22][CH3:23])[C:20]=1[OH:21])[CH:16]=[O:17].O>CN(C=O)C.C(OCC)(=O)C>[CH3:23][O:22][C:19]1[C:20]2[O:21][CH2:8][CH2:9][CH2:10][O:12][C:13]=2[CH:14]=[C:15]([CH:16]=[O:17])[CH:18]=1 | 1 |
COC1=C(C=CC(=C1)B1OC(C(O1)(C)C)(C)C)NC(C1=C(C=C(C=C1)C(F)(F)F)F)=O.NC1=C2C(=NC=N1)N(N=C2I)C2C=CC(C2)O>O.COCCOC.c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1.O.C([O-])([O-])=O.[Na+].[Na+]>NC1=C2C(=NC=N1)N(N=C2C2=CC(=C(C=C2)NC(C2=C(C=C(C=C2)C(F)(F)F)F)=O)OC)C2C=CC(C2)O | 3 |
FC1=C(C=CC=C1OC)CCC(=O)OCC>>FC1=C(C=CC=C1O)CCC(=O)OCC | 5 |
C1(=CC=C(C=C1)C(C#C)O)C1=CC=CC=C1>>C(C#C)C1=CC=C(C=C1)C1=CC=CC=C1 | 5 |
[Cl:1][C:2]1[N:7]=[C:6]([CH2:8][C:9]([C:11]2[C:12]([O:24][CH3:25])=[C:13]([NH:17][C:18](=[O:23])[O:19][CH2:20][CH:21]=[CH2:22])[CH:14]=[CH:15][CH:16]=2)=O)[CH:5]=[CH:4][N:3]=1.C1C(=O)N(Br)C(=O)C1.[CH3:34][CH:35]([CH3:39])[C:36](=[S:38])[NH2:37]>C(Cl)Cl.CS(C)=O.CCOC(C)=O>[Cl:1][C:2]1[N:7]=[C:6]([C:8]2[S:38][C:36]([CH:35]([CH3:39])[CH3:34])=[N:37][C:9]=2[C:11]2[C:12]([O:24][CH3:25])=[C:13]([NH:17][C:18](=[O:23])[O:19][CH2:20][CH:21]=[CH2:22])[CH:14]=[CH:15][CH:16]=2)[CH:5]=[CH:4][N:3]=1 | 1 |
[NH2:1][CH2:2][CH2:3][N:4]1[C:12]2[CH:11]=[CH:10][CH:9]=[CH:8][C:7]=2[C:6]2[CH2:13][CH2:14][N:15](C(OC(C)(C)C)=O)[CH2:16][CH2:17][C:5]1=2.C(C(O)=O)(F)(F)F.C(Cl)[Cl:33]>>[ClH:33].[ClH:33].[CH2:13]1[C:6]2[C:7]3[CH:8]=[CH:9][CH:10]=[CH:11][C:12]=3[N:4]([CH2:3][CH2:2][NH2:1])[C:5]=2[CH2:17][CH2:16][NH:15][CH2:14]1 | 1 |
BrC1=CC(=C(C=C1)C1=NN=C(C2=CC=CC=C12)N[C@H]1CN(CCC1)C(=O)OC(C)(C)C)OC>ClCCl.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>BrC1=CC(=C(C=C1)C1=NN=C(C2=CC=CC=C12)N[C@H]1CNCCC1)OC | 3 |
CC(=CCO)C.C(C)(C)(C)OC(=O)NCC(=O)O>C1(=CC=NC=C1)N(C)C.ClCCl.C1(CCCCC1)N=C=NC1CCCCC1>C(C)(C)(C)OC(=O)NCC(=O)OCC=C(C)C | 3 |
FC1=C(C=CC2=C1C(=C(O2)C2=CC=C(C=C2)F)C(NC)=O)C=2C=C(C(=O)O)C=CC2C.Cl.N1=NC(=CC=C1)C1(CC1)N>>FC1=C(C=CC2=C1C(=C(O2)C2=CC=C(C=C2)F)C(=O)NC)C2=C(C=CC(=C2)C(NC2(CC2)C=2N=NC=CC2)=O)C | 5 |
BrC1=CC(=C(C=C1)S(=O)(=O)N)OC(F)(F)F>CN1C(CCC1)=O.[Cu+].[C-]#N>C(#N)C1=CC(=C(C=C1)S(=O)(=O)N)OC(F)(F)F | 3 |
N1CC(C1)C1=CC=C(C=C1)NC1=NC=C(C(=O)N)C(=C1)NCC1=C(C=CC(=C1)F)F>N(C)(C)C=O.C(=O)(C(F)(F)F)O.CN(C(C)=O)C>FC1=C(CNC2=CC(=NC=C2C(=O)N)NC2=CC=C(C=C2)C2CN(C2)C=O)C=C(C=C1)F | 3 |
[CH3:1][O:2][C:3](=[O:32])[C@H:4]([CH2:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=2[C:29](O)=[O:30])=[CH:19][CH:18]=1)[NH:5][C:6](=[O:15])[C:7]1[C:12]([Cl:13])=[CH:11][CH:10]=[CH:9][C:8]=1[Cl:14].C(N1C=CN=C1)(N1C=CN=C1)=O.[CH3:45][S:46]([NH2:49])(=[O:48])=[O:47].C1CCN2C(=NCCC2)CC1>C1COCC1.CCOC(C)=O>[CH3:1][O:2][C:3](=[O:32])[C@H:4]([CH2:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]2[CH:28]=[CH:27][CH:26]=[CH:25][C:24]=2[C:29](=[O:30])[NH:49][S:46]([CH3:45])(=[O:48])=[O:47])=[CH:19][CH:18]=1)[NH:5][C:6](=[O:15])[C:7]1[C:12]([Cl:13])=[CH:11][CH:10]=[CH:9][C:8]=1[Cl:14] | 1 |
CC1=CC=C(C=C1)S(=O)(=O)NN=C1CCC(CC1)C1=C2C=CC=NC2=CC=C1.C1(CC1)C=1C=CC(=NC1C=O)CNC(OC(C)(C)C)=O>C(C)(=O)OCC.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+]>C1(CC1)C=1C=CC(=NC1C(=O)C1CCC(CC1)C1=C2C=CC=NC2=CC=C1)CNC(OC(C)(C)C)=O | 3 |
C1(=CC=CC=C1)C1OC2=C(NC1=O)C=CC=C2C(=O)O>C1CCCO1.[Na+].[BH4-].C(O)([O-])=O.[Na+]>C1(=CC=CC=C1)C1OC2=C(N=C1)C=CC=C2CO | 3 |
[F:1][C@H:2]1[C@H:8]([OH:9])[CH2:7][CH2:6][N:5]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH2:4][CH2:3]1.ClCC(O)=O.C1C=CC(P(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1.CCOC(/N=N/C(OCC)=O)=O>C1COCC1>[F:1][C@H:2]1[C@@H:8]([OH:9])[CH2:7][CH2:6][N:5]([C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH2:4][CH2:3]1 | 1 |
C(C)OC(=O)C1=C[C@H]([C@@H]([C@@H](C1)OS(=O)(=O)C)OS(=O)(=O)C)N=[N+]=[N-]>>C(C)OC(=O)C1=C[C@@H]2N([C@@H]2[C@@H](C1)OS(=O)(=O)C)P(=O)(OCC)OCC | 5 |
C1=CC=C(C=C1)C2=CC=CC=C2.C1=CC=C(C=C1)OC2=CC=CC=C2.COC(C(=CC(=O)OC)NC1=CC2=C(NC(O2)=O)C=C1)=O>>COC(=O)C=1NC=2C=C3C(=CC2C(C1)=O)NC(O3)=O | 5 |
[C:1](O)(=O)C.[F:5][C:6]1[CH:14]=[C:13]([F:15])[CH:12]=[C:11]([F:16])[C:7]=1[C:8]([NH2:10])=[NH:9].[Cl:17][C:18]1[CH:25]=[C:24]([F:26])[CH:23]=[CH:22][C:19]=1[CH:20]=O.[C:27]([O:33][CH3:34])(=[O:32])[CH2:28][C:29]([CH3:31])=O.C([O-])(=O)C.[Na+]>C(O)C>[F:5][C:6]1[CH:14]=[C:13]([F:15])[CH:12]=[C:11]([F:16])[C:7]=1[C:8]1[NH:10][C:29]([CH3:31])=[C:28]([C:27]([O:33][CH2:34][CH3:1])=[O:32])[CH:20]([C:19]2[CH:22]=[CH:23][C:24]([F:26])=[CH:25][C:18]=2[Cl:17])[N:9]=1 | 1 |
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11]2[N:14]([CH3:26])[C:15]([C:17]3[C:22]([C:23]#[CH:24])=[CH:21][N:20]=[C:19]([NH2:25])[N:18]=3)=[CH:16][C:10]=2[C:9]1=[O:27])=[O:7])([CH3:4])([CH3:3])[CH3:2].I[C:29]1[CH:30]=[C:31]([CH2:35][C:36]([NH:38][C:39]2[CH:44]=[CH:43][C:42]([CH2:45][N:46]3[CH2:51][CH2:50][N:49]([CH2:52][CH2:53][CH3:54])[CH2:48][CH2:47]3)=[C:41]([C:55]([F:58])([F:57])[F:56])[CH:40]=2)=[O:37])[CH:32]=[CH:33][CH:34]=1>CN(C=O)C.O.[Cu]I.Cl[Pd](Cl)([P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)[P](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][C:11]2[N:14]([CH3:26])[C:15]([C:17]3[C:22]([C:23]#[C:24][C:29]4[CH:34]=[CH:33][CH:32]=[C:31]([CH2:35][C:36](=[O:37])[NH:38][C:39]5[CH:44]=[CH:43][C:42]([CH2:45][N:46]6[CH2:47][CH2:48][N:49]([CH2:52][CH2:53][CH3:54])[CH2:50][CH2:51]6)=[C:41]([C:55]([F:58])([F:56])[F:57])[CH:40]=5)[CH:30]=4)=[CH:21][N:20]=[C:19]([NH2:25])[N:18]=3)=[CH:16][C:10]=2[C:9]1=[O:27])=[O:7])([CH3:4])([CH3:3])[CH3:2] | 2 |
NC1=CC(N(C=C1)CCCCN1N=NC(=C1)C(=O)NCC1=CC(=CC=C1)OC(F)(F)F)=O>c1ccncc1.C(C(C)C)OC(=O)Cl>C(C(C)C)OC(NC1=CC(N(C=C1)CCCCN1N=NC(=C1)C(NCC1=CC(=CC=C1)OC(F)(F)F)=O)=O)=O | 3 |
[C:1]([Si:5]([CH3:25])([CH3:24])[O:6][CH:7]([C:21]([CH3:23])=[CH2:22])[CH2:8][CH2:9]/[C:10](/[CH3:20])=[CH:11]/[CH2:12][CH2:13][C:14]([CH3:19])=[CH:15][CH:16]([OH:18])[CH3:17])([CH3:4])([CH3:3])[CH3:2].CCCCCC.C(OCC)(=O)C>ClCCl.[O-2].[O-2].[Mn+4]>[C:1]([Si:5]([CH3:24])([CH3:25])[O:6][CH:7]([C:21]([CH3:23])=[CH2:22])[CH2:8][CH2:9]/[C:10](/[CH3:20])=[CH:11]/[CH2:12][CH2:13][C:14]([CH3:19])=[CH:15][C:16](=[O:18])[CH3:17])([CH3:4])([CH3:3])[CH3:2] | 1 |
C(OC1C(OC)=CC(Cl)=CC=1CC(O)CO)C1C=CC=CC=1.C1(C)C=CC(S(Cl)(=O)=O)=CC=1.CC1C=CC(S(OCC2OC3C4CCCC=4C(C)=CC=3C2)(=O)=O)=CC=1.[CH3:59][C:60]1[CH:65]=[CH:64][C:63]([S:66]([O:69][CH2:70][CH:71]([OH:90])[CH2:72][C:73]2[CH:78]=[C:77]([Cl:79])[CH:76]=[C:75]([O:80][CH3:81])[C:74]=2[O:82]CC2C=CC=CC=2)(=[O:68])=[O:67])=[CH:62][CH:61]=1.S(C1C=CC(C)=CC=1)([O-])(=O)=O.Cl.[Si](OCC(O)CC1C=CC2CCCC=2C=1O)(C(C)(C)C)(C)C>N1C=CC=CC=1.[Pd]>[CH3:59][C:60]1[CH:61]=[CH:62][C:63]([S:66]([O:69][CH2:70][CH:71]([OH:90])[CH2:72][C:73]2[CH:78]=[C:77]([Cl:79])[CH:76]=[C:75]([O:80][CH3:81])[C:74]=2[OH:82])(=[O:68])=[O:67])=[CH:64][CH:65]=1 | 2 |
COC1=NS(N=C1OC)=O.BrC=1C=C(C(=NC1)CCCCN)C>CO[H].N>BrC=1C=C(C(=NC1)CCCCNC1=NS(N=C1N)=O)C | 3 |
C(C)(C)(C)OC(NC1(CCC1)C1=CC=C(C=C1)C1=NC=2N(C=C1C1=CC=CC=C1)N=C(N2)N)=O>>NC1(CCC1)C1=CC=C(C=C1)C1=NC=2N(C=C1C1=CC=CC=C1)N=C(N2)N | 5 |
ClC=1C=CC=2N(N1)N=CN2.OCC(CS(=O)(=O)N)(C)C>N(C)(C)C=O.O.Cl.[H-].[Na+]>CC(COC=1C=CC=2N(N1)N=CN2)(CS(N)(=O)=O)C | 3 |
C(C)(=O)C=1C=C(C=CC1)S(=O)(=O)NC(C)(C)C>>NC(C)C=1C=C(C=CC1)S(=O)(=O)NC(C)(C)C | 5 |
C(C)(=O)O.NN.C(C)(=O)O[C@H]1[C@@H]([C@@H](OC(C)=O)[C@H](OC(C)=O)[C@H](O1)COC(C)=O)NC(=O)OCC1=CC=CC=C1>>C(C)(=O)O[C@@H]1[C@H]([C@H](O)O[C@@H]([C@H]1OC(C)=O)COC(C)=O)NC(=O)OCC1=CC=CC=C1 | 5 |
FC(OC1=C(C=C(C=C1)OC1=CC(=CC=C1)C1(CNC1)O)C1=NN(C=C1NC(=O)C=1C=NN2C1N=CC=C2)C)F>ClCCl.C=O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+]>FC(OC1=C(C=C(C=C1)OC1=CC(=CC=C1)C1(CN(C1)C)O)C1=NN(C=C1NC(=O)C=1C=NN2C1N=CC=C2)C)F | 3 |
FCC1N(CCN(C1)C1=C(C=C(C=C1)[N+](=O)[O-])OC)C>>FCC1CN(CCN1C)C1=C(C=C(N)C=C1)OC | 5 |
ClC1=NC(=NC=C1C(=O)OCC)SC.C(C)OC(CCNC1CCCC1)=O>ClCCl.C(C)(C)N(C(C)C)CC>C(C)OC(=O)C1C(C2=C(N=C(N=C2)SC)N(C1)C1CCCC1)=O | 3 |
SC=1N(C=CN1)C.BrCC(=O)C1=C(C=C(C=C1C)C)C>>CN1C(=NC=C1)SCC(=O)C1=C(C=C(C=C1C)C)C | 5 |
C[O:2][C:3]([C:5]1([NH2:16])[CH2:15][CH2:14][CH2:13][C:8]2([O:12][CH2:11][CH2:10][O:9]2)[CH2:7][CH2:6]1)=[O:4].[CH3:17][O:18][C:19]1[CH:27]=[CH:26][C:22]([C:23](O)=[O:24])=[CH:21][C:20]=1[O:28][CH2:29][CH2:30][C:31]1[CH:32]=[C:33]([CH3:37])[CH:34]=[CH:35][CH:36]=1>>[CH3:17][O:18][C:19]1[CH:27]=[CH:26][C:22]([C:23]([NH:16][C:5]2([C:3]([OH:2])=[O:4])[CH2:15][CH2:14][CH2:13][C:8]3([O:12][CH2:11][CH2:10][O:9]3)[CH2:7][CH2:6]2)=[O:24])=[CH:21][C:20]=1[O:28][CH2:29][CH2:30][C:31]1[CH:32]=[C:33]([CH3:37])[CH:34]=[CH:35][CH:36]=1 | 1 |
[CH3:1][NH:2][C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1.Br[CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:15]([O:17][CH2:18][CH3:19])=[O:16].C(=O)(O)[O-].[Na+]>>[CH3:1][N:2]([CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][C:15]([O:17][CH2:18][CH3:19])=[O:16])[C:3]1[CH:8]=[CH:7][CH:6]=[CH:5][CH:4]=1 | 1 |
BrC1=CC=C2C(=N1)NC=C2>>BrC1=CC=C2C(=N1)N(C=C2)[Si](C(C)C)(C(C)C)C(C)C | 5 |
[N+](=O)([O-])C1=C(C(=O)OC)C=CC(=C1)C(F)(F)F>[HH].C(C)(=O)OCC.[Pd]>NC1=C(C(=O)OC)C=CC(=C1)C(F)(F)F | 3 |
C1COCCN1>ClCCl.CCN(CC)CC.S(=O)(=O)(Cl)Cl>N1(CCOCC1)S(=O)(=O)Cl | 3 |
[Cl:1][C:2]1[CH:3]=[C:4]([C:9]2[CH:14]=[C:13]([C:15]([F:18])([F:17])[F:16])[N:12]3[N:19]=[CH:20][C:21]([C:22]([OH:24])=O)=[C:11]3[N:10]=2)[CH:5]=[CH:6][C:7]=1[Cl:8].[NH2:25][C:26]1[CH:27]=[C:28]([S:32]([NH:35][C:36]([CH3:40])([CH3:39])[CH2:37][OH:38])(=[O:34])=[O:33])[CH:29]=[CH:30][CH:31]=1>>[OH:38][CH2:37][C:36]([NH:35][S:32]([C:28]1[CH:27]=[C:26]([NH:25][C:22]([C:21]2[CH:20]=[N:19][N:12]3[C:13]([C:15]([F:16])([F:17])[F:18])=[CH:14][C:9]([C:4]4[CH:5]=[CH:6][C:7]([Cl:8])=[C:2]([Cl:1])[CH:3]=4)=[N:10][C:11]=23)=[O:24])[CH:31]=[CH:30][CH:29]=1)(=[O:34])=[O:33])([CH3:40])[CH3:39] | 1 |
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.COC(=O)C=1C=C2C(=CNC2=CC1)Cl>>ClC1=CN(C2=CC=C(C=C12)C(=O)OC)C(=O)OC(C)(C)C | 5 |
C(C)(C)(C)O.Cl.NC1=CC=C(C2=CC=CC=C12)C(=O)O>>C(C)(C)(C)OC(=O)C1=CC=C(C2=CC=CC=C12)N | 5 |
[CH3:1][C:2]([S:9][C:10]1[CH:15]=[CH:14][CH:13]=[C:12]([C:16]([F:19])([F:18])[F:17])[CH:11]=1)([CH3:8])[C:3]([O:5][CH2:6][CH3:7])=[O:4].OOS([O-])=O.[K+].[OH2:26].C[OH:28]>>[CH3:8][C:2]([S:9]([C:10]1[CH:15]=[CH:14][CH:13]=[C:12]([C:16]([F:17])([F:19])[F:18])[CH:11]=1)(=[O:28])=[O:26])([CH3:1])[C:3]([O:5][CH2:6][CH3:7])=[O:4] | 2 |
Cl.Cl.[CH3:3][NH:4][NH:5][CH3:6].C(=O)([O-])[O-].[K+].[K+].[Br:13][C:14]1[CH:18]=[C:17]([C:19]2[O:24][C:23](=[O:25])[C:22]3[CH:26]=[C:27]([N+:31]([O-:33])=[O:32])[CH:28]=[C:29]([CH3:30])[C:21]=3[N:20]=2)[N:16]([C:34]2[C:39]([Cl:40])=[CH:38][CH:37]=[CH:36][N:35]=2)[N:15]=1>O.CN(C)C=O>[Br:13][C:14]1[CH:18]=[C:17]([C:19]([NH:20][C:21]2[C:29]([CH3:30])=[CH:28][C:27]([N+:31]([O-:33])=[O:32])=[CH:26][C:22]=2[C:23]([N:4]([CH3:3])[NH:5][CH3:6])=[O:25])=[O:24])[N:16]([C:34]2[C:39]([Cl:40])=[CH:38][CH:37]=[CH:36][N:35]=2)[N:15]=1 | 1 |
C(C(=O)O)(=O)O.O1[C@@H](C1)COC1=C2C=CNC2=CC=C1.ClC1=C(C=C(C=C1)C1(CCNCC1)O)C(F)(F)F>CO[H].C(C)(=O)OCC>C(C(=O)O)(=O)O.N1C=CC2=C(C=CC=C12)OC[C@H](CN1CCC(CC1)(C1=CC(=C(C=C1)Cl)C(F)(F)F)O)O | 3 |
[C:1]([O:10][CH3:11])(=[O:9])[C:2]1[C:3](=[CH:5][CH:6]=[CH:7][CH:8]=1)O.C(O)[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23].[CH3:25][O:26][C:27]([C:29]1[CH:30]=[CH:31]C(O)=[CH:33][CH:34]=1)=[O:28].C(C(CCCCCC)CO)CCC>>[C:1]([O:10][C:11]1[CH:31]=[CH:30][C:29]([C:27]([O:26][CH2:25][CH:17]([CH2:16][CH2:15][CH2:14][CH3:13])[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23])=[O:28])=[CH:34][CH:33]=1)(=[O:9])[C:2]1[CH:3]=[CH:5][CH:6]=[CH:7][CH:8]=1 | 1 |
N#N.[CH2:3]([N:10]1[CH2:14][CH2:13][C@H:12]([C@@H:15]([OH:20])[CH2:16][CH:17]([CH3:19])[CH3:18])[C:11]1=O)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1.COCCO[AlH2-]OCCOC.[Na+]>C1(C)C=CC=CC=1>[CH2:3]([N:10]1[CH2:14][CH2:13][C@H:12]([C@@H:15]([OH:20])[CH2:16][CH:17]([CH3:18])[CH3:19])[CH2:11]1)[C:4]1[CH:9]=[CH:8][CH:7]=[CH:6][CH:5]=1 | 1 |
Cl.ClCCN1CCCC1.BrC=1C=C2CCNC2=CC1>N(C)(C)C=O.C(C)(=O)OCC.[Cl-].[Na+].C(C)(C)N(C(C)C)CC>BrC=1C=C2CCN(C2=CC1)CCN1CCCC1 | 3 |
[CH:1]1([N:7]2[CH2:11][CH2:10][CH:9]([NH:12][C:13]([C:15]3[CH:26]=[CH:25][CH:24]=[CH:23][C:16]=3[NH:17][C:18](=[O:22])[C:19]([O-:21])=[O:20])=[O:14])[CH2:8]2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.[Na+]>O>[CH:1]1([N:7]2[CH2:11][CH2:10][CH:9]([NH:12][C:13]([C:15]3[CH:26]=[CH:25][CH:24]=[CH:23][C:16]=3[NH:17][C:18](=[O:22])[C:19]([OH:21])=[O:20])=[O:14])[CH2:8]2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1 | 1 |
C1(=CC=CC=C1)S(=O)(=O)N1C(=C(C=C1)C=C)C(=O)OC>>C(=O)C1=C(N(C=C1)S(=O)(=O)C1=CC=CC=C1)C(=O)OC | 5 |
C(C)(=O)N1CCN(CC1)C(N)=NC(=O)C1=CC=C(C=C1)C1=NC2CCC(CC2C2=CC(=C(C=C12)OC)OC)OC(C)=O>CO[H].C(=O)([O-])[O-].[Cs+].[Cs+]>C(C)(=O)N1CCN(CC1)C(N)=NC(C1=CC=C(C=C1)C1=NC2CCC(CC2C2=CC(=C(C=C12)OC)OC)O)=O | 3 |
C([O:3][C:4]([C@@H:6]1[CH2:10][C@@H:9]([S:11]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=2)(=[O:13])=[O:12])[CH2:8][C@H:7]1[C:20]([N:22]1[CH2:27][CH2:26][O:25][CH2:24][CH2:23]1)=[O:21])=[O:5])C.[Li+].[OH-]>C1COCC1.O.CO>[C:14]1([S:11]([C@@H:9]2[CH2:10][C@@H:6]([C:4]([OH:5])=[O:3])[C@H:7]([C:20]([N:22]3[CH2:27][CH2:26][O:25][CH2:24][CH2:23]3)=[O:21])[CH2:8]2)(=[O:13])=[O:12])[CH:15]=[CH:16][CH:17]=[CH:18][CH:19]=1 | 1 |
COC1=NC=C(C=C1)B(O)O.ClC1=C(C(=CC(=N1)NC(=O)C1(CC1)C=1C=CC2=C(CCO2)C1)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>O1CCC2=C1C=CC(=C2)C2(CC2)C(=O)NC2=CC(=C(C(=N2)C=2C=NC(=CC2)OC)C)C | 3 |
[Br-].BrCCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>>[Br-].[NH3+]CCC[P+](C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1.[Br-] | 5 |
[CH:1]1([NH:5][N:6]2[C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[C:9]([OH:16])=[C:8]([C:17]3[NH:22][C:21]4[CH:23]=[CH:24][C:25]([NH:27][S:28](=[O:41])(=[O:40])[NH:29][C:30]([O:32][CH2:33][C:34]5[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=5)=[O:31])=[CH:26][C:20]=4[S:19](=[O:43])(=[O:42])[N:18]=3)[C:7]2=[O:44])[CH2:4][CH2:3][CH2:2]1.[CH3:45][Si](C=[N+]=[N-])(C)C>O1CCCC1.CO>[CH:1]1([NH:5][N:6]2[C:15]3[C:10](=[CH:11][CH:12]=[CH:13][CH:14]=3)[C:9]([OH:16])=[C:8]([C:17]3[NH:22][C:21]4[CH:23]=[CH:24][C:25]([NH:27][S:28](=[O:41])(=[O:40])[N:29]([CH3:45])[C:30]([O:32][CH2:33][C:34]5[CH:35]=[CH:36][CH:37]=[CH:38][CH:39]=5)=[O:31])=[CH:26][C:20]=4[S:19](=[O:43])(=[O:42])[N:18]=3)[C:7]2=[O:44])[CH2:4][CH2:3][CH2:2]1 | 1 |
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