Datasets:
Derify
/
ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
ClC1=NC=C(C=C1)CCl.FC1=CC=C(CN2C3=C(C4=CC=CC=C24)C[C@H](N(C3)C(=O)OC(C)(C)C)CO)C=C1>N(C)(C)C=O.[H-].[Na+]>C(C)(C)(C)OC(=O)N1CC=2N(C3=CC=CC=C3C2C[C@H]1C(=O)O)CC=1C=NC(=CC1)Cl
3
C(C1=CC=CC=C1)OCCOC1=CC(=C(C(=O)OC)C=C1)OC>C1CCCO1.[OH-].[Na+]>C(C1=CC=CC=C1)OCCOC1=CC(=C(C(=O)O)C=C1)OC
3
FC(OC1CCN(CC1)C=O)F>O.[OH-].[K+]>FC(OC1CCNCC1)F
3
FC1=C(N)C=CC(=C1)F.Cl[Si](CC[Si](C)(C)Cl)(C)C>C1CCCO1.C(CCC)[Li].CCCCCC>NC=1C(=C(C(=CC1)F)C(=O)C1=NNC2=NC=C(C=C21)Br)F
3
COC1=CC2=C(NC(NS2(=O)=O)=O)C=C1>S(O)(O)(=O)=O>NC1=C(C=C(C=C1)OC)S(=O)(=O)N
3
C(C1=CC=CC=C1)Br.N1CCC(C(=O)OCC)CC1>ClCCl.CCN(CC)CC>C(C1=CC=CC=C1)N1CCC(CC1)C(=O)OCC
3
[CH2:1]([O:8][C@H:9]1[C@H:14]([O:15][CH2:16][C:17]2[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=2)[C@@H:13]([O:23][CH2:24][C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[C@@:12]([C:33]2[CH:38]=[CH:37][C:36]([Cl:39])=[C:35]([CH2:40][C:41]3[CH:46]=[CH:45][C:44]([O:47][CH2:48][CH3:49])=[CH:43][CH:42]=3)[CH:34]=2)([O:31][CH3:32])...
1
[Si](C1=CC=CC=C1)(C1=CC=CC=C1)(C(C)(C)C)Cl.C(C1=CC=CC=C1)OC=1C(N(N=C(C1)CO)CC1=CC=C(C=C1)OC)=O>c1cnc[nH]1.ClCCl>C(C1=CC=CC=C1)OC=1C(N(N=C(C1)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C)CC1=CC=C(C=C1)OC)=O
3
OC1=CC(OC(C1)(C1=CC=CC=C1)C1=CC=CC=C1)=O.CC1=CC=C(C=C1)S(=O)(O)=S.CC1=C(C=CC=C1)C1=CC=CC=C1>C(C)OCC.CCN(CC)CC.CCO[H].C(O)([O-])=O.[Na+]>C1(=C(C=CC=C1)CSC=1C(OC(CC1O)(C1=CC=CC=C1)C1=CC=CC=C1)=O)C1=CC=CC=C1
3
[CH2:1]([O:5][C:6]([C:8]1[N:13]=[C:12](Br)[C:11]2[C:15]([CH3:18])=[N:16][S:17][C:10]=2[C:9]=1[OH:19])=[O:7])[CH2:2][CH2:3][CH3:4].[CH2:20]([Sn](CC)(CC)CC)[CH3:21]>>[CH2:1]([O:5][C:6]([C:8]1[N:13]=[C:12]([CH2:20][CH3:21])[C:11]2[C:15]([CH3:18])=[N:16][S:17][C:10]=2[C:9]=1[OH:19])=[O:7])[CH2:2][CH2:3][CH3:4]
1
[NH2:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH2:13][CH2:12][N:11]([CH2:14][C:15]3[CH:20]=[CH:19][C:18]([CH2:21][NH:22][C:23](=[O:25])[CH3:24])=[CH:17][CH:16]=3)[CH2:10][CH2:9]2)=[CH:4][CH:3]=1.C(=O)([O-])[O-].[K+].[K+].O.[C:33](Cl)(=[O:35])[CH3:34]>[Cl-].[Na+].O.C(OCC)(=O)C>[C:33]([NH:1][C:2]1[CH:3]=[CH:4][C:5]([N:8]2[CH2:1...
1
N(=[N+]=[N-])[C@@H]1CN(CC1)C[C@H](C1=CC=CC=C1)N(C(CC1=CC(=C(C=C1)Cl)Cl)=O)C>>N[C@@H]1CN(CC1)C[C@H](C1=CC=CC=C1)N(C(CC1=CC(=C(C=C1)Cl)Cl)=O)C
5
C1(=CC=CC=C1)[C@H](C)O.FC=1N=CNC1C(=O)OCC>C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N(=NC(=O)OCC)C(=O)OCC>FC=1N=CN(C1C(=O)OCC)[C@H](C)C1=CC=CC=C1
3
C(=O)(O)C1=CN(C2=CC=C(C=C12)F)C1=CC=NC2=CC=CC=C12>>ClC(=O)C1=CN(C2=CC=C(C=C12)F)C1=CC=NC2=CC=CC=C12
5
BrC=1C(=C(C=CC1)C1=CN=CN1COCC[Si](C)(C)C)OC>>BrC=1C(=C(C=CC1)C1=CN=C(N1COCC[Si](C)(C)C)C=O)OC
5
C(C=C)(=O)Cl.COC=1C=C(OC2=CC=CC=3C(=C(OC32)C)CNC)C=CC1>O.ClCCl.CCN(CC)CC>COC=1C=C(OC2=CC=CC=3C(=C(OC32)C)CN(C(C=C)=O)C)C=CC1
3
C1(=CC=CC=C1)C=O.S1C(NC(C1)=O)=O>CCO[H].N1CCCCC1>C1(=CC=CC=C1)C=C1C(NC(S1)=O)=O
3
[Br:1][C:2]1[C:3]([N:12]2[CH2:17][CH2:16][N:15]([CH2:18][C:19]3[N:20]=[C:21]([CH:24]([CH3:26])[CH3:25])[O:22][CH:23]=3)[CH2:14][CH2:13]2)=[C:4]([N+:9]([O-])=O)[C:5]([NH2:8])=[N:6][CH:7]=1.[CH:27](=O)[C:28]1[CH:33]=[CH:32][C:31]([O:34][CH3:35])=[CH:30][CH:29]=1.[O-]S(S([O-])=O)=O.[Na+].[Na+]>CCO>[Br:1][C:2]1[C:3]([N:12]...
1
[NH2:1][CH2:2][CH2:3][C:4]1[CH:19]=[C:18]([F:20])[C:7]([O:8][C:9]2[CH:17]=[CH:16][C:12]([C:13]([NH2:15])=[O:14])=[CH:11][N:10]=2)=[C:6]([F:21])[CH:5]=1.[BH4-].[Na+]>CO>[F:21][C:6]1[CH:5]=[C:4]([CH2:3][CH2:2][NH:1][CH2:2][CH2:3][CH:4]([CH3:19])[CH3:5])[CH:19]=[C:18]([F:20])[C:7]=1[O:8][C:9]1[CH:17]=[CH:16][C:12]([C:13](...
1
Br[C:2]1[CH:7]=[CH:6][CH:5]=[C:4]([Br:8])[N:3]=1.[Li+].CCC[CH2-].[CH2:14]([N:21]1[CH2:26][CH2:25][C:24]([NH:29][C:30]2[CH:35]=[CH:34][CH:33]=[CH:32][CH:31]=2)(C#N)[CH2:23][CH2:22]1)[C:15]1[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.O>O1CCCC1>[CH2:14]([N:21]1[CH2:22][CH2:23][C:24]([NH:29][C:30]2[CH:35]=[CH:34][CH:33]=[CH:32...
2
BrC=1C=C(C=C2C=CNC12)[N+](=O)[O-]>[Pd].C(C)(C)O.NN>BrC=1C=C(C=C2C=CNC12)N
3
ClC1=CC=C(C=C1)N1CC2=CC(=C(C=C2C1=O)OC(C)=O)O>ClCCl.[N+](=O)(O)[O-].C(C)(=O)O>ClC1=CC=C(C=C1)N1CC2=C(C(=C(C=C2C1=O)OC(C)=O)O)[N+](=O)[O-]
3
C(#C)C=1C=NC=CC1.C(C1=CC=CC=C1)OC(=O)N1[C@H](C[C@H](C1)O[Si](C)(C)C(C)(C)C)CN=[N+]=[N-]>>C(C)OC(=O)N1[C@H](C[C@H](C1)O[Si](C)(C)C(C)(C)C)CN1N=NC(=C1)C=1C=NC=CC1
5
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]1[CH2:14][N:13]([CH2:15][C:16](O)=[O:17])[C:12](=[O:19])[CH:11]([CH2:20][CH:21]([CH3:23])[CH3:22])[C:10]2[CH:24]=[CH:25][C:26]([CH3:28])=[CH:27][C:9]1=2.F[P-](F)(F)(F)(F)F.N1(OC(N(C)C)=[N+](C)C)C2N=CC=CC=2N=N1.C(N(C(C)C)CC)(C)C.Cl.[NH:63]1[CH2:68][CH2:67][CH:66]([CH2:6...
2
[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:16]2[C:11](=[C:12]([N:17]3[CH2:21][CH2:20][NH:19][C:18]3=[O:22])[CH:13]=[CH:14][CH:15]=2)[CH:10]=[N:9]1.[H-].[Na+].Cl.Cl[CH2:27][C:28]1[N:29]=[CH:30][S:31][CH:32]=1>O1CCCC1>[F:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[N:8]1[C:16]2[C:11](=[C:12]([N:17]3[CH2:21][CH2:20...
2
C(C)OC(CC1=NC(=CC=C1)NCC(=O)OC(C)(C)C)=O>>CNC1=CC=CC(=N1)CCO
5
COC1C=CC(N)=CC=1.Cl.[CH3:11][O:12][C:13]1[CH:14]=[C:15]2[C:20](=[CH:21][CH:22]=1)[N:19]=[CH:18][C:17]([C:23]([OH:25])=[O:24])=[CH:16]2.Cl.[CH3:27][C@H:28]1[CH2:33][CH2:32][C@H:31]([NH2:34])[CH2:30][CH2:29]1.N1C=CC=CC=1>S(Cl)(Cl)=O.C(OCC)C.C(N(CC)CC)C>[CH3:11][O:12][C:13]1[CH:14]=[C:15]2[C:20](=[CH:21][CH:22]=1)[N:19]=[...
1
[CH2:1]([O:8][C:9]([N:11]1[CH2:15][C@@H:14]([F:16])[C@@H:13]([C:17]([OH:19])=O)[CH2:12]1)=[O:10])[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.ClC(N(C)C)=C(C)C.[NH2:28][C:29]1[CH:34]=[C:33]([C:35]2[N:40]=[C:39]([NH:41][CH2:42][CH:43]3[CH2:48][CH2:47][O:46][CH2:45][CH2:44]3)[CH:38]=[N:37][CH:36]=2)[C:32]([Cl:49])=[CH:31][N:3...
2
C(C)(C)C1=NC=C(C=C1)N.C(=C)N1N=CC(=C1)C=O>C(C)(=O)O.C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>C(C)(C)C1=CC=C(C=N1)NCC=1C=NN(C1)C=C
3
[CH3:1][C:2]1[NH:3][C:4]2[C:9]([CH:10]=1)=[CH:8][CH:7]=[CH:6][CH:5]=2.[Cl-].[Cl:12][C:13]1[CH:22]=[C:21]([F:23])[CH:20]=[CH:19][C:14]=1[CH:15]=[N+:16]([CH3:18])[CH3:17].ClC1C=C(F)C=CC=1C=O.CNC>>[Cl:12][C:13]1[CH:22]=[C:21]([F:23])[CH:20]=[CH:19][C:14]=1[CH:15]([N:16]([CH3:18])[CH3:17])[C:10]1[C:9]2[C:4](=[CH:5][CH:6]=[...
1
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)SCCOCCOCCO>>C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)SCCOCCOCCOS(=O)(=O)C1=CC=C(C=C1)C
5
[CH2:1]([S:3]([N:6]1[CH2:11][CH2:10][CH:9]([C:12]2[C:20]3[C:15](=[C:16]([C:30]([NH2:32])=[O:31])[CH:17]=[C:18](B4OC(C)(C)C(C)(C)O4)[CH:19]=3)[NH:14][CH:13]=2)[CH2:8][CH2:7]1)(=[O:5])=[O:4])[CH3:2].Br[C:34]1[CH:35]=[C:36]([C:39](=[O:41])[CH3:40])[S:37][CH:38]=1.[C:42](=O)([O-])[O-].[K+].[K+].CCOC(C)=O>O1CCOCC1.O.C1C=CC(...
1
CC=1C(=CC(=C(C1)NC1CCN(CC1)C(=O)OC(C)(C)C)[N+](=O)[O-])C(F)(F)F>>NC1=C(C=C(C(=C1)C(F)(F)F)C)NC1CCN(CC1)C(=O)OC(C)(C)C
5
[OH:1][C:2]1[CH:11]=[C:10]2[C:5]([CH2:6][CH:7]([C:12]([O:14][C:15]([CH3:18])([CH3:17])[CH3:16])=[O:13])[CH2:8][O:9]2)=[CH:4][CH:3]=1.C(=O)([O-])[O-].[K+].[K+].[Br:25][C:26]1[CH:31]=[CH:30][C:29]([C:32]2[O:33][C:34]([CH3:39])=[C:35]([CH2:37]Cl)[N:36]=2)=[CH:28][CH:27]=1>O>[C:15]([O:14][C:12]([CH:7]1[CH2:6][C:5]2[C:10](=...
1
ClC1=CC(=C(N=N1)C(C(=O)OCC)C(=O)OCC)C>>ClC1=CC(=C(N=N1)CC(=O)OCC)C
5
ClCCCC(=O)C1=CC=C(C=C1)NC(C)=O>>NC1=CC=C(C=C1)C(=O)C1CC1
5
[CH:1]([NH:4][N:5]1[C:17]2[C:16]3[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=3[N:10]=[CH:9][C:8]=2[N:7]=[C:6]1[CH2:18][CH2:19][CH3:20])([CH3:3])[CH3:2].C1C=C(Cl)C=C(C(OO)=O)C=1.[OH-].[NH4+:33].C1(C)C=CC(S(Cl)(=O)=O)=CC=1>C(Cl)(Cl)Cl.O>[CH:1]([NH:4][N:5]1[C:17]2[C:16]3[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=3[N:10]=[C:9]([NH2:33]...
1
C(=O)([O-])OC.[Mg+2].COC(=O)[O-].[CH2:12]([C:24]1[CH:29]=[CH:28][C:27]([C:30](=[O:32])[CH3:31])=[CH:26][CH:25]=1)[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][CH3:23].[N:33]1[CH2:34][CH2:35][CH2:36][CH2:37][CH:38]=1.C1CC2N(C3N(C4N2CCCC4)CCCC3)CC1.C(=O)=O.Cl>CO>[CH2:12]([C:24]1[CH:25]=...
1
CN1CCNCC1.BrC=1C=CC2=C(CC(O2)C(=O)O)C1>C(C)(C)N(C(C)C)CC.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>BrC=1C=CC2=C(CC(O2)C(=O)N2CCN(CC2)C)C1
3
[CH2:1]([O:3][P:4]([CH2:9][C:10]1[CH:15]=[CH:14][C:13]([NH:16][C:17]2[N:22]=[C:21]([NH:23][C:24]3[CH:32]=[CH:31][C:30](Br)=[C:29]4[C:25]=3[C:26](=[O:35])[N:27]([CH3:34])[CH2:28]4)[C:20]([C:36]([F:39])([F:38])[F:37])=[CH:19][N:18]=2)=[CH:12][CH:11]=1)(=[O:8])[O:5][CH2:6][CH3:7])[CH3:2].[C:40]([O:44][C:45]([N:47]1[CH2:52...
1
[CH:1]([C:3]1[C:4]2([CH3:14])[C:9]([CH2:10][CH2:11][CH:12]=1)=[CH:8][C:7](=[O:13])[CH2:6][CH2:5]2)=[CH2:2].C[O-].[Na+].[CH:18](OC)=[O:19].Cl>O1CCCC1>[CH:1]([C:3]1[C:4]2([CH3:14])[C:9]([CH2:10][CH2:11][CH:12]=1)=[CH:8][C:7](=[O:13])[C:6](=[CH:18][OH:19])[CH2:5]2)=[CH2:2]
1
[NH2:1][C@@H:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH2:4][C@@H:3]1[OH:11].C(N(CC)CC)C.[CH3:19][S:20](Cl)(=[O:22])=[O:21]>C1COCC1>[CH3:19][S:20]([NH:1][C@@H:2]1[C:10]2[C:5](=[CH:6][CH:7]=[CH:8][CH:9]=2)[CH2:4][C@@H:3]1[O:11][S:20]([CH3:19])(=[O:22])=[O:21])(=[O:22])=[O:21]
1
ClC=1C=C(C=CC1)[C@@H](C)NCC1CC(N(C1)C1=CC=C(C=C1)F)=O>C1CCCO1.B.C1CCOC1>ClC=1C=C(C=CC1)[C@@H](C)NCC1CN(CC1)C1=CC=C(C=C1)F
3
[CH2:1]([N:3]1[CH2:8][CH2:7][CH2:6][CH:5]([CH2:9][CH2:10][N:11]2[C:19]([O:20][CH3:21])=[N:18][C:17]3[C:12]2=[N:13][C:14]([O:23][C@@H:24]([CH3:28])[CH2:25][CH2:26][CH3:27])=[N:15][C:16]=3[NH2:22])[CH2:4]1)[CH3:2].[CH3:29][C@H](OC1N=C2C(N=C(OC)N2CCC2CCCNC2)=C(N)N=1)CCC.IC(C)C>>[CH3:28][C@H:24]([O:23][C:14]1[N:13]=[C:12]2...
1
ClC=1C=CC2=C(C=3N(C=4C=CC=C(C4C3)F)CO2)N1.FC1(C(C1)C=1OC2=C(C1C(=O)NC)C=C(C(=C2)N(S(=O)(=O)C)C)B2OC(C(O2)(C)C)(C)C)F>>FC1(C(C1)C=1OC2=C(C1C(=O)NC)C=C(C(=C2)N(S(=O)(=O)C)C)C=2C=CC1=C(C=3N(C=4C=CC=C(C4C3)F)CO1)N2)F
5
Br[C:2]1[N:3]=[C:4]2[CH2:12][CH2:11][CH2:10][N:9]([CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][C:19]([O:21][CH2:22][CH3:23])=[O:20])[C:5]2=[N:6][C:7]=1[Cl:8].[CH3:24][C:25]1[CH:30]=[CH:29][C:28](B2OC(C)(C)C(C)(C)O2)=[CH:27][N:26]=1.C(=O)([O-])[O-].[K+].[K+].N#N>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC...
1
BrC=1C(=NC(=NC1C1=CC=CC=C1)N)OC1=CC=CC=C1>N(C)(C)C=O.O.[Cu+].[C-]#N>NC1=NC(=C(C(=N1)OC1=CC=CC=C1)C#N)C1=CC=CC=C1
3
[N+](=O)([O-])C1=CC=C(C=C1)B(O)O.BrC=1C=CC(=NC1)OC1CCN(CC1)C>>CN1CCC(CC1)OC1=NC=C(C=C1)C1=CC=C(C=C1)[N+](=O)[O-]
5
[C:1]([N:4]1[C:13]2[C:8](=[CH:9][C:10]([C:14]([O:16][CH2:17][CH3:18])=[O:15])=[CH:11][CH:12]=2)[CH:7]([NH2:19])[CH:6]([CH3:20])[CH:5]1[CH:21]1[CH2:23][CH2:22]1)(=[O:3])[CH3:2].C([N:27]1[C:36]2[C:31](=CC(C(OCC)=O)=CC=2)[C@H:30]([NH2:42])[C@@H](C)[C@@H:28]1C1CC1)(=O)C.FC1N=CC=CN=1.CCN(C(C)C)C(C)C>CN1CCCC1=O.O>[C:1]([N:4]...
2
FC(S(=O)(=O)O[Si](C)(C)C(C)(C)C)(F)F.O=C1N(C=2N(C(=C1CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=CC2)[C@@H]2CC[C@H](CC2)OCC(C)=O>ClCCl.C(C)(C)N(C(C)C)CC>[Si](C)(C)(C(C)(C)C)OC1(CC1)CO[C@@H]1CC[C@H](CC1)N1C=2N(C(=C(C1=O)CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)CCC)N=CC2
3
[NH2:1][S:2]([C:5]1[C:10]([O:11][CH3:12])=[CH:9][CH:8]=[C:7]([CH3:13])[C:6]=1[NH:14][C:15]([C:17]1[C:18](=[O:35])[N:19]([CH2:28][C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[C:20]2[C:25]([C:26]=1[OH:27])=[CH:24][CH:23]=[CH:22][N:21]=2)=O)(=[O:4])=[O:3]>Cl>[CH2:28]([N:19]1[C:20]2[C:25](=[CH:24][CH:23]=[CH:22][N:21]=2)...
2
C1=CC=CC2=CC3=CC=CC=C3C(=C12)B(O)O.BrC=1C=C(C=CC1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1>C1(=CC=CC=C1)C.O.CCO[H].C([O-])([O-])=O.[K+].[K+].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]>C1=CC=CC2=CC3=CC=CC=C3C(=C12)C=1C=C(C=CC1)C1=NC(=NC(=N1)C1=CC=CC=C1)C1=CC=CC=C1
3
Cl[C:2]1[N:7]=[CH:6][C:5]([CH2:8][C:9]2[CH:10]=[C:11]3[C:16](=[C:17]4[CH:22]=[CH:21][CH:20]=[CH:19][C:18]=24)[N:15]=[CH:14][N:13]([C@@H:23]2[CH2:28][CH2:27][CH2:26][CH2:25][C@H:24]2[OH:29])[C:12]3=[O:30])=[CH:4][CH:3]=1.[NH:31]1[CH:35]=[CH:34][CH:33]=[N:32]1.C(=O)([O-])[O-].[Cs+].[Cs+].CN[C@@H]1CCCC[C@H]1NC>CS(C)=O.[Cu...
1
NC1=CC=C(C=C1)C1C(NC(S1)=O)=O>c1ccncc1.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>CC1=CC=C(C=C1)S(=O)(=O)NC1=CC=C(C=C1)C1C(NC(S1)=O)=O
3
C(=S)=S.BrC=1C(=C(C=C(C1)C)C(C)=O)O>S(O)(O)(=O)=O.[HH].C[Si](C)(C)[N-][Si](C)(C)C.[Na+]>BrC=1C=C(C=C2C(=CC(OC12)=S)O)C
3
ClC=1C=NC2=CC=C(C=C2C1)C(=O)OC>O.C1CCCO1.CO[H].O[Li].O>ClC=1C=NC2=CC=C(C=C2C1)C(=O)O
3
[CH3:1][C:2]1([CH3:22])[C:10]2[N:9]=[N:8][C:7]([C:11]3[C:19]4[C:14](=[N:15][C:16]([CH3:20])=[CH:17][CH:18]=4)[NH:13][N:12]=3)=[N:6][C:5]=2[NH:4][C:3]1=[O:21].C(=O)([O-])[O-].[Cs+].[Cs+].Br[CH2:30][C:31]1[CH:36]=[CH:35][C:34]([Cl:37])=[CH:33][C:32]=1[F:38].O>CN(C=O)C.C(O)=O>[Cl:37][C:34]1[CH:35]=[CH:36][C:31]([CH2:30][N...
2
[CH3:1][O:2][CH:3]([O:6][CH3:7])[CH2:4][NH2:5].[Br:8][C:9]1[CH:10]=[C:11]([C:17](=O)[CH3:18])[CH:12]=[CH:13][C:14]=1[O:15][CH3:16].[BH4-].[Na+].Cl>C1(C)C=CC=CC=1>[Br:8][C:9]1[CH:10]=[C:11]([CH:17]([NH:5][CH2:4][CH:3]([O:6][CH3:7])[O:2][CH3:1])[CH3:18])[CH:12]=[CH:13][C:14]=1[O:15][CH3:16]
2
Cl.C(C)(C)(C)OC([C@H]1NCCC1)=O.N([C@@H](CC1=CC=C(C=C1)OC(=O)C1=CC=CC=C1)C(=O)O)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12>>N([C@@H](CC1=CC=C(C=C1)OC(=O)C1=CC=CC=C1)C(=O)N1[C@H](C(=O)OC(C)(C)C)CCC1)C(=O)OCC1C2=CC=CC=C2C2=CC=CC=C12
5
[F:1][C:2]1[CH:7]=[C:6]([CH2:8][O:9][CH3:10])[CH:5]=[C:4]([F:11])[C:3]=1[C:12]1[N:17]=[C:16]([C:18]([O:20]C)=[O:19])[CH:15]=[CH:14][C:13]=1[F:22].C1COCC1.[OH-].[Na+]>CO>[F:1][C:2]1[CH:7]=[C:6]([CH2:8][O:9][CH3:10])[CH:5]=[C:4]([F:11])[C:3]=1[C:12]1[N:17]=[C:16]([C:18]([OH:20])=[O:19])[CH:15]=[CH:14][C:13]=1[F:22]
1
Cl[C:2]1[CH:7]=[C:6]([C:8]2([C:19]3[CH:24]=[C:23]([CH3:25])[N:22]=[C:21]([CH:26]([F:28])[F:27])[CH:20]=3)[C:16]3[C:11](=[C:12]([F:17])[CH:13]=[CH:14][CH:15]=3)[C:10]([NH2:18])=[N:9]2)[CH:5]=[CH:4][N:3]=1.[N:29]1[CH:34]=[C:33](B(O)O)[CH:32]=[N:31][CH:30]=1.C(=O)([O-])[O-].[Na+].[Na+]>C1COCC1.Cl[Pd]Cl.C1(P(C2C=CC=CC=2)[C...
1
[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[C:19]([CH:20]3[CH2:22][CH2:21]3)=[C:18]([N:23]=C(C3C=CC=CC=3)C3C=CC=CC=3)[N:17]=[CH:16][N:15]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].Cl.NO.CC([O-])=O.[Na+]>CO>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH2:12][N:11]([C:14]2[C:19]([CH:20]3[CH2:22][CH2:21]3)=[C:18](...
1
C[O:2][C:3](=[O:31])[CH2:4][N:5]([CH2:17][C@@H:18]([NH:23][C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[C@@H:19]([CH3:22])[CH2:20][CH3:21])[CH2:6][C:7]1[C:16]2[C:11](=[CH:12][CH:13]=[CH:14][CH:15]=2)[CH:10]=[CH:9][CH:8]=1.[OH-].[Na+]>CO>[C:27]([O:26][C:24]([NH:23][C@@H:18]([C@@H:19]([CH3:22])[CH2:20][CH3:21]...
1
[C:1]1([S:7]([C:10]2[CH:11]=[C:12]3[C:17](=[CH:18][CH:19]=2)[CH:16](Cl)[CH2:15][CH2:14][CH2:13]3)(=[O:9])=[O:8])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[C:21]([O:25][C:26](=[O:32])[N:27]([CH2:29][CH2:30][NH2:31])[CH3:28])([CH3:24])([CH3:23])[CH3:22].[I-].[Na+].C(=O)([O-])[O-].[K+].[K+]>O.C(#N)C>[C:21]([O:25][C:26](=[O:32])[...
1
NC1=CC=CC(=N1)C(NO)=N>O.C1CCCO1.C(=O)(C=1NC=CN1)C=1NC=CN1.C1CCC2=NCCCN2CC1>NC1=CC=CC(=N1)C=1NOC(N1)=O
3
C[Si](C)(C)Cl.FC(C(CC#C)(CCCC)O)(F)F>N(C)(C)C=O.c1cnc[nH]1>FC(C(CC#C)(CCCC)O[Si](C)(C)C)(F)F
3
C(C1=CC=CC=C1)OC=1C=C2C(NC(=NC2=CC1OC)C1=CC(=CC=C1)[N+](=O)[O-])=O>O.C(=O)(C(F)(F)F)O.C(O)([O-])=O.[Na+]>OC=1C=C2C(NC(=NC2=CC1OC)C1=CC(=CC=C1)[N+](=O)[O-])=O
3
FC1=C(C=C2C=CNC2=C1)C=NO>CO[H].[HH].N.[Al].[Ni]>FC1=C(C=C2C=CNC2=C1)CN
3
C(C1=CC=CC=C1)N1CC(=C(CC1)C)NC(OC)=O>>C(C1=CC=CC=C1)N1CC(C(CC1)C)NC(OC)=O
5
CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.[F:25][C:26]1[CH:31]=[CH:30][C:29]([C:32]2[O:52][C:35]3=[N:36][C:37]([CH2:49][CH2:50][CH3:51])=[C:38]([C:40]4[CH:41]=[C:42]([CH:46]=[CH:47][CH:48]=4)[C:43](O)=[O:44])[CH:39]=[C:34]3[C:33]=2[C:53](=[O:56])[NH:54][CH3:55])=[CH:28][CH:27]=1.Cl.[C:58]12([NH2:63])[CH2:6...
2
[CH3:1][C:2]1[CH:6]=[C:5]([C:7]2[CH:12]=[CH:11][C:10]([F:13])=[CH:9][CH:8]=2)[O:4][N:3]=1.[H][H]>[Pt](=O)=O.C(O)C>[NH2:3][C:2]([CH3:1])=[CH:6][C:5]([C:7]1[CH:8]=[CH:9][C:10]([F:13])=[CH:11][CH:12]=1)=[O:4]
1
C(#C)C1=CC=CC=C1.COC(C1=C(C=CC(=C1)C(C1=CC=C(C=C1)N(C)C1=CC=C(C=C1)Cl)=O)N=[N+]=[N-])=O>[Cu]I.O1CCOCC1.CNCCNC.[Cu]>COC(C1=C(C=CC(=C1)C(C1=CC=C(C=C1)N(C)C1=CC=C(C=C1)Cl)=O)N1N=NC(=C1)C1=CC=CC=C1)=O
3
C([O:3][C:4](=O)[C:5]([F:13])([F:12])[C:6]1[N:11]=[CH:10][CH:9]=[CH:8][N:7]=1)C.[BH4-].[Na+]>CCO>[F:13][C:5]([F:12])([C:6]1[N:7]=[CH:8][CH:9]=[CH:10][N:11]=1)[CH2:4][OH:3]
1
FC1=CC(=C(OC=2C(=NC(=NC2)N)N)C=C1)C(C)C>C1CCCO1.IN1C(CCC1=O)=O.FC(S(=O)(=O)O)(F)F>FC1=CC(=C(OC=2C(=NC(=NC2)N)N)C=C1I)C(C)C
3
[O:1]1[CH2:10][CH:2]1[CH2:3][C:4]1[N:8]=[C:7]([CH3:9])[O:6][N:5]=1.[N:11]1([C:22](=[O:23])[C:21]2[NH:20][CH:19]=[N:18][C:17]=2[N:15]([CH3:16])[C:13]1=[O:14])[CH3:12]>C(O)(C)C.N1C=CC=CC=1>[OH:1][CH:2]([CH2:3][C:4]1[N:8]=[C:7]([CH3:9])[O:6][N:5]=1)[CH2:10][N:20]1[C:21]2[C:22](=[O:23])[N:11]([CH3:12])[C:13](=[O:14])[N:15]...
1
[CH3:1][S:2]([N:5]1[C:13]2[CH2:12][CH:11]([C:14]3[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=3[CH3:20])[CH2:10][C:9](=O)[C:8]=2[C:7]([CH3:22])=[CH:6]1)(=[O:4])=[O:3].[C:23]([NH:26][NH2:27])([NH2:25])=[NH:24].[ClH:28].Cl.O>C(O)C>[ClH:28].[NH:26]([N:27]=[C:9]1[CH2:10][CH:11]([C:14]2[CH:19]=[CH:18][CH:17]=[CH:16][C:15]=2[CH3:20]...
1
[NH2:1][CH:2]([CH2:12][C:13]1[CH:18]=[CH:17][CH:16]=[C:15]([O:19][C:20]([F:25])([F:24])[CH:21]([F:23])[F:22])[CH:14]=1)[CH:3]([C:5]1[CH:10]=[CH:9][C:8]([OH:11])=[CH:7][CH:6]=1)[OH:4].[C:26]1([C:37](O)=[O:38])[CH:27]=[CH:28][CH:29]=[C:30]2[CH2:36][CH2:35][CH2:34][CH:33]=[CH:32][C:31]=12.Cl.C(N=C=NCCCN(C)C)C.O.ON1C2C=CC=...
1
Cl.C(N)(=N)C=1C(=CC(=C(C(=O)OC)C1)C)C1CCC1.BrCC(COC)=O>CC#N.C([O-])([O-])=O.[K+].[K+]>C1(CCC1)C1=CC(=C(C(=O)OC)C=C1C=1NC(=CN1)COC)C
3
C(C)N.ClC1=NC2=CC(=C(C=C2C=C1C(=O)C(C(=O)OCC)=CN(C)C)F)Cl>CCO[H].C1CCC2=NCCCN2CC1>ClC=1C(=CC=2C(=NC=3N(C=C(C(C3C2)=O)C(=O)OCC)CC)C1)F
3
[CH3:1][C:2]1([CH3:9])[O:6][C@@H:5]([CH2:7][OH:8])[CH2:4][O:3]1.Cl[C:11]1[CH:16]=[CH:15][N:14]=[C:13]([NH2:17])[CH:12]=1.[Na]>CO>[CH3:1][C:2]1([CH3:9])[O:6][C@@H:5]([CH2:7][O:8][C:11]2[CH:16]=[CH:15][N:14]=[C:13]([NH2:17])[CH:12]=2)[CH2:4][O:3]1
2
CC1(C)C(C)(C)OB([C:9]2[CH:14]=[CH:13][N:12]=[C:11]3[N:15]([S:31]([C:34]4[CH:40]=[CH:39][C:37]([CH3:38])=[CH:36][CH:35]=4)(=[O:33])=[O:32])[C:16]([C:18]4[CH2:23][CH2:22][N:21]([C:24]([O:26][C:27]([CH3:30])([CH3:29])[CH3:28])=[O:25])[CH2:20][CH:19]=4)=[CH:17][C:10]=23)O1.Br[C:43]1[CH:44]=[CH:45][C:46]([C:49]([NH:51][CH3:...
1
O(C1=CC=CC=C1)C=1C=C(C=CC1)CCCC(C)(C)C1=CC=C(C=C1)OC>O.C(C)(=O)O.Br>O(C1=CC=CC=C1)C=1C=C(C=CC1)CCCC(C)(C)C1=CC=C(C=C1)O
3
FC(CNC=1C(=C(C(=CC1)Cl)CC(=O)NCC=1C(=NC(=CC1)NC(=O)OC(C)(C)C)C)F)(C1=CC=CC=C1)F>>Cl.NC1=CC=C(C(=N1)C)CNC(CC1=C(C(=CC=C1Cl)NCC(C1=CC=CC=C1)(F)F)F)=O
5
C[C@H]1CC[C@H](N1C(=O)OC(C)(C)C)C(=O)OCC>O.CCO[H].Cl.[OH-].[Li+]>C(C)(C)(C)OC(=O)N1[C@@H](CC[C@@H]1C)C(=O)O
3
C(C)(C)(C)OC(=O)NC1CCN(CC1)C=1N=CC2=C(N1)OC(=C2C2=CC=CC=C2)C2=CC=C(C=C2)C2(CCC2)NC(OC(C)(C)C)=O>>Cl.Cl.NC1(CCC1)C1=CC=C(C=C1)C1=C(C2=C(N=C(N=C2)N2CCC(CC2)N)O1)C1=CC=CC=C1
5
C(C)(C)(C)OC(=O)N1C[C@@H](N(CC1)S(=O)(=O)C1=CC=C(C=C1)OC(F)(F)F)C(=O)O.FC(OC1=C(C=C(CN)C=C1)F)F>>C(C)(C)(C)OC(=O)N1C[C@@H](N(CC1)S(=O)(=O)C1=CC=C(C=C1)OC(F)(F)F)C(NCC1=CC(=C(C=C1)OC(F)F)F)=O
5
FC(C1=C(C=O)C=CC=C1)(F)F.COCC(CC(=O)OCC)=O>CCO[H].N>C(C)OC(=O)C1=C(NC(=C(C1C1=C(C=CC=C1)C(F)(F)F)C(=O)OCC)COC)COC
3
[Li]CCCC.[C:6]([C:9](=[C:14]([NH2:19])[C:15]([F:18])([F:17])[F:16])[C:10]([O:12][CH3:13])=[O:11])(=[O:8])[CH3:7].[F:20][C:21]([F:28])([F:27])[C:22](OCC)=O.O>CCCCCC.C1COCC1>[F:16][C:15]([F:17])([F:18])[C:14]1[C:9]([C:10]([O:12][CH3:13])=[O:11])=[C:6]([OH:8])[CH:7]=[C:22]([C:21]([F:28])([F:27])[F:20])[N:19]=1
1
[Br-].C[Mg+].COCN1C(SC2=C1C=CC(=C2)C(=O)C=2N=C(SC2)C2=NC=CC=C2)=O>C1CCCO1>OC(C)(C=1N=C(SC1)C1=NC=CC=C1)C1=CC2=C(N(C(S2)=O)COC)C=C1
3
ClC=1C=C(C=C(C1O)OC)B(O)O.N1CC(C1)COC=1C=2N(C=C(C1)Br)C=NC2>O.O1CCOCC1.C(=O)([O-])[O-].[Cs+].[Cs+]>N1CC(C1)COC=1C=2N(C=C(C1)C1=CC(=C(C(=C1)OC)O)Cl)C=NC2
3
NC1=NC=2C=C(C=CC2C2=C1N=C(N2CC(C)(C)O)COC)CCC(=O)N(C)C>ClCCl>NC1=NC=2C=C(C=CC2C2=C1N=C(N2CC(C)(C)O)CO)CCC(=O)N(C)C
3
N[N:2]1[C:6](=[O:7])[C:5]([CH3:8])=[C:4]([CH3:9])[C:3]1=[O:10].C([N:13]([CH2:16][CH3:17])CC)C.[C:18](Cl)(=[O:22])[C:19](C)=C>ClCCl>[NH2:13][C:16](=[CH2:17])[C:18](=[O:22])[CH2:19][N:2]1[C:6](=[O:7])[C:5]([CH3:8])=[C:4]([CH3:9])[C:3]1=[O:10]
1
C(CBr)OCCBr.NCC=1C=2N(N=C(C1)Cl)C(=C(N2)C)C(=O)C2=C(C=C(C=C2)Cl)F>>ClC1=CC(=C(C=C1)C(=O)C1=C(N=C2N1N=C(C=C2CN2CCOCC2)Cl)C)F
5
C([O:8]C([NH:11][C@H:12]([C:16]([O:18][CH2:19][CH2:20][O:21][CH2:22][N:23]1[CH:31]=[N:30][C:29]2[C:24]1=[N:25][CH:26]=[N:27][C:28]=2[NH2:32])=[O:17])[CH:13]([CH3:15])[CH3:14])=O)C1C=CC=CC=1.CO.[ClH:35]>[Pd].O1CCCC1>[OH2:8].[ClH:35].[NH2:11][C@H:12]([C:16]([O:18][CH2:19][CH2:20][O:21][CH2:22][N:23]1[CH:31]=[N:30][C:29]2...
2
[CH:1]([O:8][CH2:9][CH3:10])(OCC)OCC.C(O[C@@H:15]1[C@H:21]2[C@H:22]3[C@H:31]([CH2:32][CH2:33][C@:18]2([CH2:19][CH3:20])[C:17](=[O:35])[CH2:16]1)[C@@H:30]1[C:25](=[CH:26]C(=O)[CH2:28][CH2:29]1)[CH2:24][CH2:23]3)(=O)C.C(N(CC)CC)C.O>CCO.C1(C)C=CC(S(O)(=O)=O)=CC=1>[CH2:9]([O:8][C:1]1[CH2:28][CH2:29][C@H:30]2[C:25](=[CH:24]...
1
N1CC(C1)C(O)(C1=CN=NN1C)C=1C=C2C(=C(C(=NC2=CC1)OC)CC1=CC=C(C=C1)C(F)(F)F)Cl>>ClC1=C(C(=NC2=CC=C(C=C12)C(O)(C1CN(C1)C)C1=CN=NN1C)OC)CC1=CC=C(C=C1)C(F)(F)F
5
O=S(Cl)[Cl:3].[CH:5]1[CH:10]=[CH:9][C:8]([C@@H:11]([NH2:15])[C:12]([OH:14])=[O:13])=[CH:7][CH:6]=1.[CH3:16][CH2:17]O>>[NH2:15][C@@H:11]([C:12]([O:14][CH2:16][CH3:17])=[O:13])[C:8]1[CH:7]=[CH:6][CH:5]=[CH:10][CH:9]=1.[ClH:3]
1
CC1=C(C(=CC(=C1)C)C1=CC=CC=C1)B(O)O>C(Cl)(Cl)(Cl)[H].C(C)(=O)[O-].C(C)(=O)[O-].C(C)(=O)[O-].C(C)(=O)[O-].[Pb+4]>CC(=O)CC(=O)CC(=O)O
3
C(C)(C)(C)OC(C(C(=O)OC(C)(C)C)C1=C(C=CC(=C1)C(=O)OC)NC1CCN(CC1)C(=O)OCC1=CC=CC=C1)=O>C1(=CC=CC=C1)C.O.C1(=CC=C(C=C1)S(=O)(=O)O)C>C(C1=CC=CC=C1)OC(=O)N1CCC(CC1)N1C(CC2=CC(=CC=C12)C(=O)OC)=O
3
[CH2:1]([C:4]([CH2:15][CH:16]=[CH2:17])(C(OCC)=O)[C:5]([O:7][CH2:8][CH3:9])=[O:6])[CH:2]=[CH2:3].C(C(CC=C)CC=C)(OCC)=O.C(O[C@H]1C[C@@H](CO[C:41](=[O:43])[CH3:42])C=C1)(=O)C.C1CC=CC=1.C=O.[F:51][C:52]1[C:53]([NH2:59])=[N:54][C:55](=[O:58])[NH:56][CH:57]=1.C(OC1C=CC([N+]([O-])=O)=CC=1)(=O)C>C(O)(=O)C>[C:5]([CH:4]([CH2:1]...
1