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ReactionSmiles

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xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
F[C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][CH:3]=1.[CH3:11][O:12][CH2:13][CH2:14][NH2:15].CCN(CC)CC>CC#N>[CH3:11][O:12][CH2:13][CH2:14][NH:15][C:2]1[CH:7]=[CH:6][C:5]([N+:8]([O-:10])=[O:9])=[CH:4][CH:3]=1
2
Cl[C:2]1[N:7]=[C:6]([CH3:8])[NH:5][C:4]2=[CH:9][C:10]([C:12]3[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=3)=[N:11][C:3]=12.[CH3:18][NH:19][CH2:20][CH2:21][NH:22][CH3:23].C([O-])([O-])=O.[K+].[K+]>O>[CH3:18][N:19]([CH2:20][CH2:21][NH:22][CH3:23])[C:2]1[N:7]=[C:6]([CH3:8])[NH:5][C:4]2[C:3]=1[N:11]=[C:10]([C:12]1[CH:17]=[CH:16]...
1
C(=O)(OC(C)(C)C)NCCN.C(#N)C=1C(=C(SC1N1CCOCC1)C(=O)O)C1=C(C=C(C=C1)Cl)Cl>ClCCl.O1CCOCC1.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>NCCNC(=O)C=1SC(=C(C1C1=C(C=C(C=C1)Cl)Cl)C#N)N1CCOCC1
3
C[Si](C#C/C=C/CO)(C)C>c3c(P(c1ccccc1)c2ccccc2)cccc3.ClCCl.BrN1C(CCC1=O)=O>BrCC=CC#C[Si](C)(C)C
3
FC1=NC=C(C=C1)C>>FC1=NC=C(C=C1I)C
5
Cl[C:2]1[C:3](=[O:15])[N:4]([CH:9]2[CH2:14][CH2:13][CH2:12][CH2:11][O:10]2)[N:5]=[CH:6][C:7]=1Cl.[Br:16][C:17]1[CH:22]=[CH:21][C:20]([C:23]2[CH:27]=[C:26]([CH3:28])[NH:25][N:24]=2)=[CH:19][CH:18]=1.C(=O)([O-])[O-].[K+].[K+]>CN(C)C(=O)C.O>[Br:16][C:17]1[CH:18]=[CH:19][C:20]([C:23]2[CH:27]=[C:26]([CH3:28])[N:25]([C:2]3[C...
2
BrC=1C=CC2=C(NC(C(O2)(C)C)=O)C1>O1CCOCC1.B1(OC(C(O1)(C)C)(C)C)B2OC(C(O2)(C)C)(C)C.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].C(C)(=O)[O-].[K+]>CC1(C(NC2=C(O1)C=CC(=C2)B2OC(C(O2)(C)C)(C)C)=O)C
3
[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1[C:9]#[CH:10].[NH2:11][C:12]1[CH:19]=[CH:18][CH:17]=[CH:16][C:13]=1[CH2:14][SH:15].[Na]>>[F:1][C:2]1[CH:7]=[C:6]([F:8])[CH:5]=[CH:4][C:3]=1/[CH:9]=[CH:10]\[CH:14]([S:15][CH:14](/[CH:10]=[CH:9]\[C:3]1[CH:4]=[CH:5][C:6]([F:8])=[CH:7][C:2]=1[F:1])[C:13]1[CH:16]=[CH:17][CH:...
1
C1(OC)C=CC=CC=1.[F:9][C:10]1[CH:18]=[CH:17][C:16]2[N:15](CC3C=CC(OC)=CC=3)[C:14]3[CH:28]=[CH:29][N:30]([C:33]4[CH:34]=[N:35][CH:36]=[CH:37][C:38]=4[C:39]([F:42])([F:41])[F:40])[C:31](=[O:32])[C:13]=3[C:12]=2[CH:11]=1.C(OCC)(=O)C>C(O)(C(F)(F)F)=O.CCCCCC>[F:9][C:10]1[CH:18]=[CH:17][C:16]2[NH:15][C:14]3[CH:28]=[CH:29][N:3...
1
CC(=O)C1=CC(=CC=C1)Br>CO[H].C(#N)[BH3-].[Na+].C(C)(=O)[O-].[NH4+]>BrC=1C=C(C=CC1)C(C)N
3
C(C1=CC=CC=C1)OC(=O)N1C[C@H](N(CC1)C[C@@H]1N(C[C@H](N(C1)C(=O)OC(C)(C)C)C)CC(=O)N1CC(C2=NC=C(C=C21)CC2=CC=C(C=C2)F)(C)C)C>CCO[H].[HH].[Pd]>FC1=CC=C(CC=2C=C3C(=NC2)C(CN3C(CN3C[C@H](N(C[C@@H]3CN3[C@@H](CNCC3)C)C(=O)OC(C)(C)C)C)=O)(C)C)C=C1
3
C(C1=CC=CC=C1)(=O)Cl.COC1=C(N)C=CC(=C1)C1=CC2=CC=C(C=C2C=C1)OC>>COC1=C(C=CC(=C1)C1=CC2=CC=C(C=C2C=C1)OC)NC(C1=CC=CC=C1)=O
5
COC1=C(OC(CO)CO)C=CC=C1>CC#N.C1(=CC=NC=C1)N(C)C.CCN(CC)CC.C1(=CC=C(C=C1)S(=O)(=O)Cl)C>CC1=CC=C(C=C1)S(=O)(=O)OCC(COS(=O)(=O)C1=CC=C(C=C1)C)OC1=C(C=CC=C1)OC
3
C1(=CC=CC=C1)[C@@H]1NC(N[C@@H]1C1=CC=CC=C1)=S.C(C)OC(C1=CC=C(C=C1)CCl)=O>CCO[H]>Cl.C(C)OC(C1=CC=C(C=C1)CSC=1N[C@@H]([C@@H](N1)C1=CC=CC=C1)C1=CC=CC=C1)=O
3
NC1=CC2=C(N=CS2)C=C1.FC(C(C(=O)O)=C)(F)F>C1(=CC=CC=C1)C.C1=CC(=CC=C1O)O>S1C=NC2=C1C=C(C=C2)NCC(C(=O)O)C(F)(F)F
3
[CH2:1]1[O:11][C:10]2[CH:9]=[CH:8][C:5]([CH2:6][NH2:7])=[CH:4][C:3]=2[O:2]1.[Cl:12][C:13]1[N:14]=[C:15](Cl)[C:16]2[C:21]([CH3:22])=[CH:20][S:19][C:17]=2[N:18]=1>>[Cl:12][C:13]1[N:14]=[C:15]([NH:7][CH2:6][C:5]2[CH:8]=[CH:9][C:10]3[O:11][CH2:1][O:2][C:3]=3[CH:4]=2)[C:16]2[C:21]([CH3:22])=[CH:20][S:19][C:17]=2[N:18]=1
1
[NH2:1][C:2]1[N:7]([CH3:8])[C:6](=[O:9])[CH2:5][C:4]([C:11]2[CH:16]=[CH:15][CH:14]=[C:13](Br)[CH:12]=2)([CH3:10])[N:3]=1.COCCOC.C(=O)([O-])[O-].[Cs+].[Cs+].[CH3:30][O:31][C:32]1[CH:33]=[C:34](B(O)O)[CH:35]=[CH:36][CH:37]=1>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(O)...
2
OCC1=CC(=NC=C1)C(=O)OC>ClCCl.CS(=O)(=O)Cl.C(C)(C)N(C(C)C)CC>CS(=O)(=O)OCC1=CC(=NC=C1)C(=O)OCC
3
Br[CH2:2][C:3]1[CH:15]=[CH:14][C:6]2[C:7](=[O:13])[CH:8]=[C:9]([C:11]#[N:12])[O:10][C:5]=2[CH:4]=1.[Na].[OH:17][C:18]1[CH:19]=[C:20]([CH:33]=[CH:34][CH:35]=1)[O:21][CH2:22][C:23]1[CH:32]=[CH:31][C:30]2[C:25](=[CH:26][CH:27]=[CH:28][CH:29]=2)[N:24]=1.O>CS(C)=O>[C:11]([C:9]1[O:10][C:5]2[CH:4]=[C:3]([CH2:2][O:17][C:18]3[C...
1
C1(CCCC1)OC=1C=C(C(=O)OC)C=C(C1)OCC1=CC=CC=C1>>C1(CCCC1)OC=1C=C(C(=O)O)C=C(C1)OCC1=CC=CC=C1
5
[C:1]1([CH:7]([N:14]2[CH2:17][CH:16]([CH2:18][OH:19])[CH2:15]2)[C:8]2[CH:13]=[CH:12][CH:11]=[CH:10][CH:9]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.C(N(CC)CC)C.[CH3:27][S:28](Cl)(=[O:30])=[O:29]>C(Cl)Cl>[C:1]1([CH:7]([N:14]2[CH2:17][CH:16]([CH2:18][O:19][S:28]([CH3:27])(=[O:30])=[O:29])[CH2:15]2)[C:8]2[CH:13]=[CH:12][CH:11]...
1
NC1=NC=C(C(=O)OC(C)C)C=C1>>NC1=NC=C(C(=O)OC(C)C)C=C1Br
5
NC1=CC=C(C=N1)S(=O)(=O)Cl.NC=1C(=CC2=C(B(OC2)O)C1)F>CC#N.c1ccncc1>NC1=CC=C(C=N1)S(=O)(=O)NC=1C(=CC2=C(B(OC2)O)C1)F
3
BrC1=CC(=C(C(=O)O)C=C1F)C>S(O)(O)(=O)=O.CO[H].C(O)([O-])=O.[Na+]>BrC1=CC(=C(C(=O)OC)C=C1F)C
3
[OH:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]([CH3:12])[C:9]([OH:11])=[O:10].[CH2:13](Br)[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH:15]=1>>[CH2:13]([O:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[CH:8]([CH3:12])[C:9]([O:11][CH2:8][C:3]1[CH:4]=[CH:5][CH:6]=[CH:7][CH:2]=1)=[O:10])[C:14]1[CH:19]=[CH:18][CH:17]=[CH:16][CH...
1
C(C)(C)(C)OC(=O)N(NC(=O)OC(C)(C)C)C1CC1>ClCCl.Cl.C(C)(=O)OCC>C1(CC1)NN
3
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[C:14]2[CH:15]=[C:16]([Cl:19])[CH:17]=[CH:18][C:13]=2[NH:12][C:11](=[S:20])[CH2:10][N:9]=1.[OH-].[K+].Cl.[CH3:24][N:25]([CH2:27][CH2:28]Cl)[CH3:26].[C:30]([OH:37])(=[O:36])/[CH:31]=[CH:32]\[C:33]([OH:35])=[O:34]>O.O1CCCC1>[C:30]([OH:37])(=[O:36])/[CH:31]=[CH:32]\[C:33]...
1
ClC1=CC=C(CCl)C=C1.ClC=1C=C(C=C(C1OC1=NC=C(C=C1)O)C)/C=C/C(=O)N1CCN(CC1)CC1=CC=C(C=C1)CCOC1=CC=C(C=C1)C>>ClC=1C=C(C=C(C1OC1=NC=C(C=C1)OCC1=CC=C(C=C1)Cl)C)/C=C/C(=O)N1CCN(CC1)CC1=CC=C(C=C1)CCOC1=CC=C(C=C1)C
5
[N+:1]([C:4]1[CH:5]=[C:6]([S:10]([N:13]2[C:22]3[C:17](=[CH:18][CH:19]=[CH:20][CH:21]=3)[NH:16][C:15](=[O:23])[CH2:14]2)(=[O:12])=[O:11])[CH:7]=[CH:8][CH:9]=1)([O-:3])=[O:2].CI.[C:26](=O)([O-])[O-].[K+].[K+].CN(C=O)C>O>[CH3:26][N:16]1[C:17]2[C:22](=[CH:21][CH:20]=[CH:19][CH:18]=2)[N:13]([S:10]([C:6]2[CH:7]=[CH:8][CH:9]=...
2
ClC=1C=CC(=C(C(=O)O)C1)O.ClC=1C=CC(=C(C(=O)N[C@@H](C)C2=CC=C(C(=O)OC)C=C2)C1)COC1=C(C=C(C=C1)F)F>>ClC=1C=CC(=C(C(=O)N[C@@H](C)C2=CC=C(C(=O)OC)C=C2)C1)O
5
[CH3:1][NH:2][C:3]([CH:5]1[CH2:10][N:9](C(OCC2C=CC=CC=2)=O)[CH2:8][CH2:7][N:6]1[C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])=[O:4]>CO>[CH3:1][NH:2][C:3]([CH:5]1[CH2:10][NH:9][CH2:8][CH2:7][N:6]1[C:21]([O:23][C:24]([CH3:27])([CH3:26])[CH3:25])=[O:22])=[O:4]
2
[N:1]1([CH:17]2[CH2:22][CH2:21][NH:20][CH2:19][CH2:18]2)[CH2:6][CH2:5][CH:4]([N:7]2[C@@H:11]3[CH2:12][CH2:13][CH2:14][CH2:15][C@H:10]3[NH:9][C:8]2=[O:16])[CH2:3][CH2:2]1.[CH:23]1([C:26](O)=[O:27])[CH2:25][CH2:24]1.CN(C(ON1N=NC2C=CC=NC1=2)=[N+](C)C)C.F[P-](F)(F)(F)(F)F.C(N(C(C)C)CC)(C)C>CN(C=O)C>[CH:23]1([C:26]([N:20]2[...
1
C(C1=CC=CC=C1)(=O)C1=C(C=CC=C1C)CC#N>>Cl.C1(CCCCC1)C1=NCCC2=CC=CC(=C12)C
5
C(OC(=O)[NH:7][C@H:8]1[C:16]2[C:11](=[CH:12][CH:13]=[C:14]([O:17][C:18]3[N:19]=[C:20]4[C:26]([CH:27]=[O:28])=[CH:25][N:24]([CH2:29][O:30][CH2:31][CH2:32][Si:33]([CH3:36])([CH3:35])[CH3:34])[C:21]4=[N:22][CH:23]=3)[CH:15]=2)[CH2:10][CH2:9]1)(C)(C)C.C([Cl:41])(=O)C>CO>[ClH:41].[NH2:7][C@H:8]1[C:16]2[C:11](=[CH:12][CH:13]...
2
[Cl:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2([CH3:38])[C:12]([C:14]3[CH:19]=[CH:18][C:17]([Cl:20])=[CH:16][CH:15]=3)([CH3:13])[N:11]([C:21](Cl)=[O:22])[C:10]([C:24]3[CH:29]=[CH:28][C:27]([C:30]([C:33]#[N:34])([CH3:32])[CH3:31])=[CH:26][C:25]=3[O:35][CH2:36][CH3:37])=[N:9]2)=[CH:4][CH:3]=1.FC(F)(F)C(O)=O.[CH:46]([NH:49][C:50](...
1
O1CCN(CC1)C1=C(C=CC=C1)NC1=NC2=CC=C(C=C2C=N1)OC1=CC(=NC=C1)C(=O)O>N(C)(C)C=O.N.F[P-](F)(F)(F)(F)F.N1(N=NC2=C1C=CC=C2)O[P+](N(C)C)(N(C)C)N(C)C>O1CCN(CC1)C1=C(C=CC=C1)NC1=NC2=CC=C(C=C2C=N1)OC1=CC(=NC=C1)C(=O)N
3
S1C(=CC=C1)C1=C2C(NC1=O)=C(C(N2)=O)C=2SC=CC2.C(CCC)C(CI)CCCCCC>N(C)(C)C=O.CCCCCC.C(=O)([O-])[O-].[Cs+].[Cs+]>C(CCC)C(CN1C=2C(=C(C1=O)C=1SC=CC1)N(C(C2C=2SC=CC2)=O)CC(CCCCCC)CCCC)CCCCCC
3
[CH3:1][O:2][C:3]1[CH:8]=[CH:7][C:6]([N:9]2[CH:13]=[CH:12][N:11]=[CH:10]2)=[CH:5][CH:4]=1.[Br:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH3:20]>C1COCC1>[Br-:14].[CH2:15]([N:11]1[CH:12]=[CH:13][N+:9]([C:6]2[CH:7]=[CH:8][C:3]([O:2][CH3:1])=[CH:4][CH:5]=2)=[CH:10]1)[CH2:16][CH2:17][CH2:18][CH2:19][CH3:20]
1
[C:1]([O:5][C:6]([N:8]1[C@H:12]([CH2:13][CH3:14])[CH2:11][C:10](=O)[C@@H:9]1[CH2:16][C:17]1[CH:22]=[CH:21][CH:20]=[CH:19][CH:18]=1)=[O:7])([CH3:4])([CH3:3])[CH3:2].[F:23][C:24]([F:38])([F:37])[C:25]1[CH:26]=[C:27]([CH:30]=[C:31]([C:33]([F:36])([F:35])[F:34])[CH:32]=1)[CH2:28][NH2:29].[BH4-].[Na+].O>CO.CC(C)[O-].[Ti+4]....
1
COC(C)(C)OC.C1(CCCCC1)=O.C(C=C)O>>C1(C(CCCC1)CC=C)=O
5
CN(CCN(C1=C(C=C(C(=C1)OC)NC1=NC=C(C(=N1)C1=CN(C2=CC(=CC=C12)OC)C)C(F)(F)F)[N+](=O)[O-])C)C>CO[H].[HH].[Pd]>CN(CCN(C=1C(=CC(=C(C1)OC)NC1=NC=C(C(=N1)C1=CN(C2=CC(=CC=C12)OC)C)C(F)(F)F)N)C)C
3
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.N[C@@H]1[C@H](CC2=CC(=CC=C12)Br)O>C1CCCO1.C(O)([O-])=O.[Na+]>BrC=1C=C2C[C@@H]([C@H](C2=CC1)NC(OC(C)(C)C)=O)O
3
C(C)OC(CCCN1C(C=2N(C=3C=C(SC3C2)C2=CC=C(C=C2)[N+](=O)[O-])C1=S)=O)=O>O.C(=O)(C(F)(F)F)O.C(C)(=O)OCC>[N+](=O)([O-])C1=CC=C(C=C1)C=1SC=2C=C3N(C2C1)C(N(C3=O)CCCC(=O)O)=S
3
C(OC([N:8]1[CH2:12][C@@H:11]([CH2:13][O:14][C:15]2[CH:20]=[CH:19][CH:18]=[C:17]([Cl:21])[CH:16]=2)[CH2:10][C@H:9]1[C:22]([O:24]C(C)(C)C)=[O:23])=O)(C)(C)C>Cl.O1CCOCC1>[Cl:21][C:17]1[CH:16]=[C:15]([CH:20]=[CH:19][CH:18]=1)[O:14][CH2:13][C@@H:11]1[CH2:12][NH:8][C@H:9]([C:22]([OH:24])=[O:23])[CH2:10]1
1
[N+](C1C=CC(CCN)=CC=1)([O-])=O.[CH3:13][O:14][C:15]1[N:20]=[C:19]([NH:21][CH2:22][CH2:23][C:24]2[S:25][CH:26]=[CH:27][CH:28]=2)[CH:18]=[C:17]([C:29]2[CH:34]=[CH:33][CH:32]=[C:31]([O:35][CH3:36])[CH:30]=2)[N:16]=1.[ClH:37]>CCO.CCOCC>[ClH:37].[CH3:13][O:14][C:15]1[N:20]=[C:19]([NH:21][CH2:22][CH2:23][C:24]2[S:25][CH:26]=...
1
Cl[C:2]1[N:3]=[CH:4][C:5]2[C:10]([CH:11]([CH3:13])[CH3:12])=[CH:9][N:8]([CH:14]3[CH2:18][CH2:17][CH2:16][CH2:15]3)[C:6]=2[N:7]=1.C(OC([N:26]1[CH2:31][CH2:30][N:29]([C:32]2[CH:33]=[N:34][C:35]([NH2:38])=[CH:36][CH:37]=2)[CH2:28][CH2:27]1)=O)(C)(C)C>>[CH:14]1([N:8]2[C:6]3[N:7]=[C:2]([NH:38][C:35]4[CH:36]=[CH:37][C:32]([N...
1
BrC1=CC=NC=C1.NCC=1C=C2C(=CN=C(C2=CC1)N(C(OC(C)(C)C)=O)C(=O)OC(C)(C)C)Br>C1(=CC=CC=C1)C.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.C1=CC=C(C=C1)C=CC(=O)C=CC2=CC=CC=C2.[Pd].[Pd].C1(=CC=CC=C1)P(C1=CC=CC=2C(C3=CC=CC(=C3OC12)P(C1=CC=CC=C1)C1=CC=CC=C1)(C)C)C1=CC=CC=C1.C(=O)([O-])[O-].[Cs+].[Cs+]...
3
[Cl:1][C:2]([Cl:50])([Cl:49])[CH2:3][O:4][C:5]([C@@H:7]1[CH2:12][CH2:11][CH2:10][N:9]([C:13](=[O:48])[C@@H:14]([NH:23][C:24](=[O:47])[C@@H:25]([NH:29][C:30](OCC2C3C=CC=CC=3C3C2=CC=CC=3)=[O:31])[CH:26]([CH3:28])[CH3:27])[CH2:15][O:16][CH2:17][C:18]2([CH3:22])[CH2:21][O:20][CH2:19]2)[NH:8]1)=[O:6].[CH2:51]([NH:53][CH2:54...
1
BrC1=CC=C2C(=NNC2=C1)C>O1CCOCC1.[H-].[Na+].C1(=CC=C(C=C1)S(=O)(=O)Cl)C>BrC1=CC=C2C(=NN(C2=C1)S(=O)(=O)C1=CC=C(C)C=C1)C
3
C(C=C)(=O)N.C1(CC1)C[C@@H](C(=O)NN)NC(OC(C)(C)C)=O>O.C(C)(C)O.C(O)([O-])=O.[Na+]>NC(CCNNC([C@H](CC1CC1)NC(OC(C)(C)C)=O)=O)=O
3
FC1=C(C=CC(=C1)N1N=CC=C1)NC1=NC=C2C=CC(=NC2=C1)C=C1CCN(CC1)C(=O)OC(C)(C)C>CCO[H].[HH].[Pd]>FC1=C(C=CC(=C1)N1N=CC=C1)NC1=NC=C2C=CC(=NC2=C1)CC1CCN(CC1)C(=O)OC(C)(C)C
3
[N+:1]([C:4]1[CH:5]=[C:6]([C:21]([C:30]2[CH:35]=[CH:34][C:33](OS(C3C=CC(C)=CC=3)(=O)=O)=[C:32]([N+:47]([O-:49])=[O:48])[CH:31]=2)([C:26]([F:29])([F:28])[F:27])[C:22]([F:25])([F:24])[F:23])[CH:7]=[CH:8][C:9]=1OS(C1C=CC(C)=CC=1)(=O)=O)([O-:3])=[O:2].[CH3:50][NH:51][CH2:52][C:53]1[CH:58]=[CH:57][CH:56]=[CH:55][CH:54]=1.Cl...
1
ClC=1N=CC2=C(N1)C=NC(=C2)C2=C(C(=CC(=C2Cl)OC)OC)Cl.Cl.Cl.O1C[C@H]([C@@H](C1)N)N>CC#N.C(C)(C)N(C(C)C)CC>ClC1=C(C(=C(C=C1OC)OC)Cl)C1=CC2=C(N=C(N=C2)N[C@@H]2COC[C@@H]2N)C=N1
3
[CH3:1][O:2][C:3]([C:5]1[S:6][C:7](Br)=[CH:8][C:9]=1[N:10]([C@H:20]1[CH2:25][CH2:24][C@H:23]([OH:26])[CH2:22][CH2:21]1)[C:11]([C@H:13]1[CH2:18][CH2:17][C@H:16]([CH3:19])[CH2:15][CH2:14]1)=[O:12])=[O:4].[O:28]1[C:32]2([CH2:37][CH2:36][C:35](B(O)O)=[CH:34][CH2:33]2)[O:31][CH2:30][CH2:29]1.C([O-])([O-])=O.[Na+].[Na+]>CN(C...
1
[NH3:1].[OH2:2].[ClH:3].[NH:4]1[CH2:9][CH2:8][C:7](=O)[CH2:6][CH2:5]1.Cl.NO>>[ClH:3].[OH:2][N:1]=[C:7]1[CH2:8][CH2:9][NH:4][CH2:5][CH2:6]1
1
O1C(CCC1)C=O.NC=1C=C(C=C(C1F)Br)CO>C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl>BrC=1C=C(C=C(C1F)NCC1OCCC1)CO
3
FC1=C(C=CC(=C1)F)B(O)O.BrC=1C=C(C(=O)OC(C)(C)C)C=C(C1)C(C(F)F)O>N(C)(C)C=O.O.[Pd+2].[O-]C(=O)C.[O-]C(=O)C.C(C)(C)NC(C)C.C1=CC(=CC(=C1)S(=O)(=O)[O-])P(C2=CC(=CC=C2)S(=O)(=O)[O-])C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+].[Na+].[Na+]>FC(C(O)C=1C=C(C=C(C1)C1=C(C=C(C=C1)F)F)C(=O)OC(C)(C)C)F
3
[F:1][C:2]1[CH:7]=[CH:6][C:5]([N:8]2[CH:13]=[C:12]([N+:14]([O-:16])=[O:15])[CH:11]=[C:10]([C:17]([OH:19])=O)[C:9]2=[O:20])=[CH:4][CH:3]=1.Cl.Cl.[F:23][C:24]1[CH:25]=[C:26]([NH:51]C(NC(=O)CC2C=CC(F)=CC=2)=S)[CH:27]=[CH:28][C:29]=1[O:30][C:31]1[C:36]2=[C:37]([CH3:50])C(OCCN3CCN(C)CC3)=CN2N=CN=1.CN([P+](ON1N=[N:83][C:78]2...
1
[Br:1][C:2]1[O:6][C:5]([C:7](Cl)=[O:8])=[CH:4][CH:3]=1.[C:10]([NH:13][CH2:14][CH2:15][NH2:16])(=[O:12])[CH3:11]>C(Cl)Cl.C(N(CC)CC)C>[NH:13]([CH2:14][CH2:15][NH:16][C:7]([C:5]1[O:6][C:2]([Br:1])=[CH:3][CH:4]=1)=[O:8])[C:10]([CH3:11])=[O:12]
1
ClCC(=O)C1=CC=CC=C1.FC1=CC=C(C=C1)C(C(=O)O[C@H]1CN2CCC1CC2)N2CCCCC2>>[Cl-].FC1=CC=C(C=C1)C(C(=O)O[C@H]1C[N+]2(CCC1CC2)CC(C2=CC=CC=C2)=O)N2CCCCC2
5
[Br:1][C:2]1[CH:3]=[CH:4][C:5]([OH:20])=[C:6]([CH:8]=[CH:9][C:10]([C:12]2[CH:17]=[CH:16][C:15]([O:18][CH3:19])=[CH:14][CH:13]=2)=O)[CH:7]=1.[BH4-].[Na+].C(O)(=O)C>C(O)C>[Br:1][C:2]1[CH:7]=[C:6]2[C:5](=[CH:4][CH:3]=1)[O:20][CH:10]([C:12]1[CH:13]=[CH:14][C:15]([O:18][CH3:19])=[CH:16][CH:17]=1)[CH2:9][CH2:8]2
1
N1(CCOCC1)C=1N=C2C(=NC1)CN(CC2)C(=O)OCC>O.CO[H].[OH-].[K+]>N1(CCOCC1)C=1N=C2C(=NC1)CNCC2
3
C(C)(C)(C)OC(=O)N(C1=CC(=CC=2SC3=CC(=CC=C3N(C12)C(=O)OC(C)(C)C)C1CCCC1)C(F)(F)F)C1CCN(CC1)CCNC(=O)OC(C)(C)C>ClCCl.Cl.O1CCOCC1.CCCCC>Cl.NCCN1CCC(CC1)NC1=CC(=CC=2SC3=CC(=CC=C3NC12)C1CCCC1)C(F)(F)F
3
C([O:4][CH:5]1[CH2:9][CH2:8][N:7]([CH2:10][C:11](OCC)=[O:12])[C:6]1=[O:16])(=O)C.[NH3:17]>CO>[OH:4][CH:5]1[CH2:9][CH2:8][N:7]([CH2:10][C:11]([NH2:17])=[O:12])[C:6]1=[O:16]
1
ClCC(=O)Cl.C(C)(C)(C)S(=O)(=O)N1CC(CC1(C)C)NC1=C(C=C(C=C1)Cl)O>CC#N.C([O-])([O-])=O.[K+].[K+]>C(C)(C)(C)S(=O)(=O)N1CC(CC1(C)C)N1C2=C(OCC1=O)C=C(C=C2)Cl
3
C(#C)[Si](C)(C)C.ClC1=CC=CC2=C1C(N(CC=1N2C=NC1I)C)=O>[Cu]I.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)NCC>ClC1=CC=CC2=C1C(N(CC=1N2C=NC1C#C[Si](C)(C)C)C)=O
3
C(C1=CC=CC=C1)(C1=CC=CC=C1)(C1=CC=CC=C1)OC[C@H]1OC1.FC(CCCCCCCCCCCCCCC[Mg]Br)(F)F>[Cu]I.[Cl-].[NH4+].CC1OCCC1>FC(CCCCCCCCCCCCCCCC[C@@H](COC(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)O)(F)F
3
[NH2:1][C:2]1[N:10]=[CH:9][CH:8]=[CH:7][C:3]=1[C:4]([OH:6])=[O:5].[Br:11]Br>C(O)(=O)C>[NH2:1][C:2]1[C:3]([C:4]([OH:6])=[O:5])=[CH:7][C:8]([Br:11])=[CH:9][N:10]=1
1
NC1=C(C=C(C(=O)NC2CCN(CC2)C)C=C1)Cl.ClC=1N=CC2=C(N(CC(C(N2C)=O)(F)F)C2CCCC2)N1>C(C)O.Cl.O>ClC=1C=C(C(=O)NC2CCN(CC2)C)C=CC1NC=1N=CC2=C(N(CC(C(N2C)=O)(F)F)C2CCCC2)N1
3
[CH3:1][N:2]1[C:6]([C:7]2[CH:12]=[CH:11][N:10]=[C:9]([NH:13]C3C=CC(S(=O)(=O)NCCCN4CCCC4=O)=CC=3)[N:8]=2)=[CH:5][N:4]=[C:3]1[CH3:33].[Cl:34]N1C(=O)CCC1=O>C(O)(=O)C>[NH2:13][C:9]1[N:8]=[C:7]([C:6]2[N:2]([CH3:1])[C:3]([CH3:33])=[N:4][CH:5]=2)[C:12]([Cl:34])=[CH:11][N:10]=1
2
C(CCC)C=1N=C(N(C(C1CC1=CC=C(C=C1)C=1C(=CC=CC1)C#N)=O)C1=CC=C(C=C1)OC)C>>C(CCC)C1=C(C(N(C(=N1)C)C1=CC=C(C=C1)OC)=O)CC1=CC=C(C=C1)C1=C(C=CC=C1)C1=NOC(N1)=O
5
Cl[C:2]1[C:12]2[O:11][CH2:10][CH2:9][N:8]([CH3:13])[C:7](=[O:14])[C:6]=2[CH:5]=[CH:4][C:3]=1[O:15][C:16]1[CH:17]=[C:18]([CH:23]=[C:24]([O:26]CC2C=CC=CC=2)[CH:25]=1)[C:19]([O:21][CH3:22])=[O:20].C([O-])=O.[NH4+]>CO.[Pd]>[OH:26][C:24]1[CH:23]=[C:18]([CH:17]=[C:16]([O:15][C:3]2[CH:4]=[CH:5][C:6]3[C:7](=[O:14])[N:8]([CH3:1...
1
[CH3:1][C:2]([C:4]1[CH:5]=[CH:6][C:7]2[O:13][CH2:12][CH2:11][CH2:10][CH2:9][C:8]=2[CH:14]=1)=[O:3].[BH4-].[Na+]>CO>[CH3:1][CH:2]([C:4]1[CH:5]=[CH:6][C:7]2[O:13][CH2:12][CH2:11][CH2:10][CH2:9][C:8]=2[CH:14]=1)[OH:3]
1
C1(CC1)\C(=C(/C(=O)OCC)\C1=CC=C(C=C1)OCOC)\C1=CC=CC=C1>CO[H].[OH-].[Na+]>C1(CC1)\C(=C(/C(=O)O)\C1=CC=C(C=C1)OCOC)\C1=CC=CC=C1
3
[NH2:1][C@@H:2]([CH2:6][C:7]1[CH:12]=[CH:11][C:10]([O:13][CH2:14][CH2:15][C:16]2[N:17]=[C:18]([C:22]3[CH:27]=[CH:26][CH:25]=[CH:24][CH:23]=3)[O:19][C:20]=2[CH3:21])=[CH:9][CH:8]=1)[C:3]([OH:5])=[O:4].C(O)(C(F)(F)F)=O.[C:35]1([C:41](=[O:47])[CH2:42][C:43](=O)[CH2:44][CH3:45])[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1>>[CH2...
1
N1N=NC2=C1C=CC=C2.C(C)(=O)OC[C@H]1[C@@H](CC1)C=O>O(C(C)(C)C)C>C(C)(=O)OC[C@H]1[C@@H](CC1)[C@@H](O)N1N=NC2=C1C=CC=C2
3
C(C1=CC=CC=C1)N(C1CC(C1)CN(C)C)CC1=CC=CC=C1>CO[H].[HH].[Pd]>CN(C)CC1CC(C1)N
3
[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]3[CH:21]=[CH:20][C:19](=[O:22])[N:18]([CH:23]([CH3:25])[CH3:24])[C:10]=3[N:11]=[C:12](S(C)(=O)=O)[N:13]=2)=[C:4]([CH3:26])[CH:3]=1.[NH2:27][CH:28]([CH2:31][OH:32])[CH2:29][OH:30]>>[F:1][C:2]1[CH:7]=[CH:6][C:5]([C:8]2[C:9]3[CH:21]=[CH:20][C:19](=[O:22])[N:18]([CH:23]([CH3:25])[CH...
1
[C:1]12([C:11]3[CH:20]=[C:19]4[C:14]([CH:15]=[CH:16][C:17](B(O)O)=[CH:18]4)=[CH:13][C:12]=3[O:24][CH2:25][C:26]3[CH:31]=[CH:30][C:29]([F:32])=[CH:28][CH:27]=3)[CH2:10][CH:5]3[CH2:6][CH:7]([CH2:9][CH:3]([CH2:4]3)[CH2:2]1)[CH2:8]2.[OH:33][C:34]1[CH:43]=[C:42](I)[CH:41]=[CH:40][C:35]=1[C:36]([O:38][CH3:39])=[O:37]>>[OH:33...
1
FC1=C(C(=CC=C1)F)C1=NC=2C(C=3C=CC(=CC13)C1=NNN=C1)=NN(C2NC2CCN(CC2)S(=O)(=O)C)COCC[Si](C)(C)C>O.ClCCl.C(=O)(C(F)(F)F)O.N>FC1=C(C(=CC=C1)F)C1=NC2=C(C=3C=CC(=CC13)C1=NNN=C1)NN=C2NC2CCN(CC2)S(=O)(=O)C
3
[F:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]([C:12]1[CH:17]=[CH:16][CH:15]=[CH:14][C:13]=1[OH:18])[N:6]=[C:5]2[N:19]1[CH2:23][CH2:22][C@@H:21]([NH:24]C(=O)OC(C)(C)C)[CH2:20]1.C(O)(C(F)(F)F)=O.C([O-])(O)=O.[Na+]>C(Cl)Cl>[NH2:24][C@@H:21]1[CH2:22][CH2:23][N:19]([C:5]2[C:4]3[C:9](=[CH:10][CH:11]=[C:2]([F:1]...
1
C[Si]([N-][Si](C)(C)C)(C)C.[Li+].[CH2:11]([O:13][C:14]1[CH:15]=[C:16]([C:22]([C:24]2[CH:29]=[CH:28][C:27]([O:30][CH3:31])=[C:26]([N+:32]([O-:34])=[O:33])[CH:25]=2)=O)[CH:17]=[CH:18][C:19]=1[O:20][CH3:21])[CH3:12].[CH2:35]1COC[CH2:36]1>[Br-].C([P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1)C>[CH2:11]([O:13][C:14]1[CH:15]=[C:...
1
C(C=C)[Mg]Br.FC1=C(C=O)C(=CC=C1F)F>C1CCCO1.[Cl-].[NH4+]>FC1=C(C(=CC=C1F)F)C(CC=C)O
3
[Cl-].[CH3:2][O:3][CH2:4][P+](C1C=CC=CC=1)(C1C=CC=CC=1)C1C=CC=CC=1.CC([O-])(C)C.[K+].[CH2:30]([O:32][C:33]1[CH:38]=[CH:37][C:36]([CH:39]2[CH2:44][CH2:43][CH:42]([CH:45]=O)[CH2:41][CH2:40]2)=[C:35]([F:47])[C:34]=1[F:48])[CH3:31].O>C1COCC1>[CH2:30]([O:32][C:33]1[CH:38]=[CH:37][C:36]([CH:39]2[CH2:44][CH2:43][CH:42]([CH:45...
1
C(CCC)OC(C=C)=O.ClC1=NC(=CC(=C1)CO[Si](C)(C)C(C)(C)C)OC>O1CCOCC1.[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.C1(CCCCC1)N(C)C1CCCCC1.[Pd].C(C)(C)(C)P(C(C)(C)C)C(C)(C)C.C(C)(C)(C)P(C(C)(C)C)C(C)(C)C>CC(C)(C)[Si](OCC1=CC(=NC(=C1)OC)/C=C/C(=O)OCCCC)(C)C
3
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.FC(C(=O)O)(F)F.FC(CC1CN2C=3C(=CC=C(C13)C(=O)OC)CNCC2)(F)F>ClCCl.CCN(CC)CC>FC(CC1CN2C=3C(=CC=C(C13)C(=O)OC)CN(CC2)C(=O)OC(C)(C)C)(F)F
3
Cl[Ru](C1=CC=CCCCC1)Cl.C[Si](C)(C)C1(C=CC=C1)[Na]>C1CCCO1>C[Si](C)(C)C1(C=CC=C1)[Ru]C1(C=CC=C1)[Si](C)(C)C
3
N1C=CC=CC=1C(O)=O.[O-]P([O-])([O-])=O.[K+].[K+].[K+].I[C:19]1[CH:24]=[CH:23][C:22]([O:25][CH3:26])=[CH:21][CH:20]=1.[NH:27]1[CH2:31][CH2:30][CH2:29][C:28]1=[O:32]>CS(C)=O.[Cu]I.O.CCOC(C)=O>[CH3:26][O:25][C:22]1[CH:23]=[CH:24][C:19]([N:27]2[CH2:31][CH2:30][CH2:29][C:28]2=[O:32])=[CH:20][CH:21]=1
2
BrCCNC(OC(C)(C)C)=O.BrC1=CC(=C(C=C1)[C@H]1N(CC[C@@H](C1)OCC)C(=O)OCC1=CC=CC=C1)O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>BrC1=CC(=C(C=C1)[C@H]1N(CC[C@@H](C1)OCC)C(=O)OCC1=CC=CC=C1)OCCNC(=O)OC(C)(C)C
3
FC=1C=C(C=C(C1F)F)O.ClC1(C=2N(CCC1)C(=NN2)C2=NC(=C(C=C2)N2C=NC(=C2)C)OC)C(=O)OCC>>COC1=C(C=CC(=N1)C1=NN=C2N1CCCC2(C(=O)OCC)OC2=CC(=C(C(=C2)F)F)F)N2C=NC(=C2)C
5
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[C:12]([C:13]2[N:14]([CH2:18][O:19][CH2:20][CH2:21][Si:22]([CH3:25])([CH3:24])[CH3:23])[CH:15]=[CH:16][N:17]=2)=[CH:11][N:10]([C:26]2[C:31]([CH3:32])=[CH:30][N:29]=[C:28](F)[CH:27]=2)[N:9]=1.[CH3:34][O:35][C:36]1[CH:41]=[C:40]([O:42][CH3:43])[CH:39]=[CH:38][C:37]=1[CH2...
2
C1(=CC=CC=2CCCCC12)C(=O)O.C(C)OC(=O)C1([C@H](C2=CC=CC=C2[C@H]1C)C)N>>C(C)OC(=O)C1([C@H](C2=CC=CC=C2[C@H]1C)C)NC(=O)C1=CC=CC=2CCCCC12
5
BrC1=C(C(=O)OCC)C=CC=C1.C(C=C)(=O)OCC1=CC=CC=C1>>C(C1=CC=CC=C1)OC(/C=C/C1=C(C(=O)OCC)C=CC=C1)=O
5
P([O-])([O-])([O-])=O.C1N=C(N)C2N=CN([C@@H]3O[C@H](COP(OP(OC[C@H]4O[C@@H](N5C=C(C(N)=O)CC=C5)[C@H](O)[C@@H]4O)(O)=O)(O)=O)[C@@H](O)[C@H]3OP(O)(O)=O)C=2N=1.[C:54]([NH:62][CH2:63][CH:64]([C:69](=[O:71])[CH3:70])[C:65]([O:67][CH3:68])=[O:66])(=[O:61])[C:55]1[CH:60]=[CH:59][CH:58]=[CH:57][CH:56]=1>>[C:54]([NH:62][CH2:63][C...
2
BrCCO.OC1=C(C=C2C(=CC=NC2=C1)OC=1C(=NC2=CC=NC=C2C1)C)OC>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>COC=1C=C2C(=CC=NC2=CC1OCCO)OC=1C(=NC2=CC=NC=C2C1)C
3
N=C=N.N1C(=NC=C1)CN(CC=1NC=CN1)CC1=CC=C(C(=O)O)C=C1.C(CC)N(CCC)CC1=CC=C(C=C1)N>>N1C(=NC=C1)CN(CC=1NC=CN1)CC1=CC=C(C(=O)NC2=CC=C(C=C2)CN(CCC)CCC)C=C1
5
[Si:1]([O:8][CH2:9][C:10]1([CH:13]=O)[CH2:12][CH2:11]1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].ClCCCl.Cl.[CH3:20][O:21][C:22](=[O:25])[CH2:23][NH2:24].C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>>[C:4]([Si:1]([CH3:2])([CH3:3])[O:8][CH2:9][C:10]1([CH2:13][NH:24][CH2:23][C:22]([O:21][CH3:20])=[O:25])[CH2:11][CH2:12]1)(...
1
FC(C=1C=C(C(=O)Cl)C=CC1)(F)F.C(C)(C)NC1=C(C=CC=C1)/C=C/C(=O)OC>>C(C)(C)N(C(C1=CC(=CC=C1)C(F)(F)F)=O)C1=C(C=CC=C1)/C=C/C(=O)OC
5
ClC=1N(C=C(N1)[N+](=O)[O-])CC[C@H](COS(=O)(=O)C1=CC=C(C=C1)C)O.[Si](C)(C)(C(C)(C)C)OC1CCN(CC1)C1CCN(CC1)C1=CC=C(C=C1)O>CCO[H].[I-].[Na+].P(=O)([O-])([O-])[O-].[K+].[K+].[K+]>C(C)(C)(C)[Si](OC1CCN(CC1)C1CCN(CC1)C1=CC=C(OC[C@@H](CCN2C(=NC(=C2)[N+](=O)[O-])Cl)O)C=C1)(C)C
3
[NH2:1][C:2]([NH:4][CH2:5][C:6]1[CH:11]=[CH:10][C:9]([CH2:12][NH:13][C:14](=[O:37])[C@@H:15]([CH2:27][CH2:28][CH2:29][NH:30][C:31]([NH2:36])=[N:32][N+]([O-])=O)[NH:16][C:17](=[O:26])[CH2:18][C:19]2[CH:24]=[CH:23][C:22]([OH:25])=[CH:21][CH:20]=2)=[CH:8][CH:7]=1)=[O:3].[C:38]([OH:41])(=[O:40])[CH3:39]>[Pd]>[NH2:1][C:2]([...
1