Datasets:
Derify
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ReactionSmiles

Dataset card Data Studio Files
xet
 Community
1
smiles
stringlengths
15
6.12k
source_id
int64
1
5
[O:1]1[CH:5]=[CH:4][C:3](B(O)O)=[CH:2]1.[NH2:9][C:10]1[CH:17]=[CH:16][CH:15]=[C:14](Br)[C:11]=1[C:12]#[N:13]>>[NH2:9][C:10]1[CH:17]=[CH:16][CH:15]=[C:14]([C:3]2[CH:4]=[CH:5][O:1][CH:2]=2)[C:11]=1[C:12]#[N:13]
1
C(C)(=O)OC(C)=O.NC=1SC2=C(N1)C=CC(=C2)SC#N>>C(C)(=O)NC=1SC2=C(N1)C=CC(=C2)SC#N
5
Cl.OC1[C@H](N)[C@@H](O)[C@@H](O)[C@H](O1)CO.N(=[N+]=[N-])CC(=O)O>CO[H].CCN(CC)CC.OC1=CC=CC=2NN=NC21.Cl.CN(CCCN=C=NCC)C>N(=[N+]=[N-])CC(=O)N[C@H]1C(O)O[C@@H]([C@@H]([C@@H]1O)O)CO
3
C(C)OC(=O)C1=COC=C1C1=CC=CC=C1>>C1(=CC=CC=C1)C=1C(=COC1)CO
5
[CH2:1]([O:3][C:4](=[O:13])[CH:5](Br)[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])[CH3:2].[CH3:14][O:15][C:16]1[CH:21]=[CH:20][C:19]([SH:22])=[CH:18][CH:17]=1>>[CH2:1]([O:3][C:4](=[O:13])[CH:5]([S:22][C:19]1[CH:20]=[CH:21][C:16]([O:15][CH3:14])=[CH:17][CH:18]=1)[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10][CH3:11])[CH3:2]
1
[C:1]([OH:5])(=[O:4])[C:2]#[CH:3].[CH2:6](O)[CH:7]=[CH:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1.C1(N=C=NC2CCCCC2)CCCCC1>CCOCC.CN(C)C1C=CN=CC=1>[C:1]([O:5][CH2:6][CH:7]=[CH:8][C:9]1[CH:14]=[CH:13][CH:12]=[CH:11][CH:10]=1)(=[O:4])[C:2]#[CH:3]
1
[NH2:1][CH2:2][C:3]1[C:11]2[S:10](=[O:13])(=[O:12])[N:9]=[C:8]([C:14]3[C:15](=[O:32])[N:16]([CH2:25][C:26]4[CH:31]=[CH:30][CH:29]=[CH:28][CH:27]=4)[C:17]4[C:22]([C:23]=3[OH:24])=[CH:21][CH:20]=[CH:19][CH:18]=4)[NH:7][C:6]=2[S:5][CH:4]=1.C(N(CC)CC)C.[N:40]1([C:46](Cl)=[O:47])[CH2:45][CH2:44][O:43][CH2:42][CH2:41]1.Cl>O1...
1
[CH2:1]([C:5]1[NH:6][C:7]([C:12]#N)=[C:8]([C:10]#[N:11])[N:9]=1)[CH2:2][CH2:3][CH3:4].[C:14]([Mg]Cl)([CH3:17])([CH3:16])[CH3:15].C(OCC)(=[O:22])C.S([O-])(O)(=O)=O.[K+]>C(Cl)Cl.C(OCC)C>[CH2:1]([C:5]1[NH:9][C:8]([C:10]#[N:11])=[C:7]([C:12](=[O:22])[C:14]([CH3:17])([CH3:16])[CH3:15])[N:6]=1)[CH2:2][CH2:3][CH3:4]
1
C(C)(C)(C)N1N=CC=C1NC1=CC=CC(=N1)CC1(CCN(CC1)C(=O)OC(C)(C)C)C(=O)OCC>>C(C)(C)(C)N1N=CC=C1NC1=CC=CC(=N1)CC1(CCNCC1)C(=O)OCC
5
COC(=O)C1N=C(OC1)[C@H]1N(C[C@@H]2N(C1)CCC2)C(=O)OC(C)(C)C>>COC(=O)C=1N=C(OC1)[C@H]1N(C[C@@H]2N(C1)CCC2)C(=O)OC(C)(C)C
5
S(=O)(=O)(C1=CC=C(C)C=C1)OCC(=O)OC1=C(C(=C(C(=C1F)F)F)F)F.C(C=C)[C@@]1(C[C@H]([C@]2([C@@H]3[C@]([C@H](C1=O)C)(CC[C@H]3OC)CC[C@H]2C)C)O)C>C1CCCO1.C1(=CC=NC=C1)N(C)C>S(=O)(=O)(C1=CC=C(C)C=C1)OCC(=O)O[C@H]1[C@]2([C@@H]3[C@]([C@H](C([C@](C1)(C)CC=C)=O)C)(CC[C@H]3OC)CC[C@H]2C)C
3
[NH2:1][C:2]1[C:3]([N:15]([CH:20]2[CH2:25][CH2:24][CH2:23][CH2:22][CH2:21]2)[CH2:16][CH:17]([CH3:19])[CH3:18])=[CH:4][C:5]([F:14])=[C:6]([C@H:8]2[CH2:10][C@H:9]2[C:11]([OH:13])=[O:12])[CH:7]=1.[N:26]([C:29]1[CH:34]=[CH:33][C:32]([CH3:35])=[CH:31][CH:30]=1)=[C:27]=[O:28]>C1COCC1>[CH:20]1([N:15]([CH2:16][CH:17]([CH3:19])...
2
C(C)(=O)OCC(=O)Cl.FC1=C(C=C(C=C1)OC[C@H]1OCCC1)C1=CN(C=2N=CN=C(C21)N)[C@@H]2C[C@@H](C2)N2CCNCC2>ClCCl.CCN(CC)CC>NC=1C2=C(N=CN1)N(C=C2C2=C(C=CC(=C2)OC[C@H]2OCCC2)F)[C@H]2C[C@H](C2)N2CCN(CC2)C(CO)=O
3
N(=[N+]=[N-])C(C1CCN(CC1)C(C)=O)C1=C(C=C(C(=C1)Cl)Cl)OC>O.C1CCCO1.c3c(P(c1ccccc1)c2ccccc2)cccc3.N>NC(C1CCN(CC1)C(C)=O)C1=C(C=C(C(=C1)Cl)Cl)OC
3
FC(C1=CC=C(C(=S)Cl)C=C1)(F)F.NC(C#N)(CN1N=C2C(=N1)C(=CC(=C2F)Br)C)C>>BrC1=C(C=2C(=NN(N2)CC(C)(C#N)NC(C2=CC=C(C=C2)C(F)(F)F)=S)C(=C1)C)F
3
ClC1=C(C(=CC(=C1)C(F)(F)F)Cl)NN.C(C)OC(=C(C#N)C(C1=CC(=CC=C1)C(F)(F)F)=O)OCC>CCO[H]>NC1=C(C(=NN1C1=C(C=C(C=C1Cl)C(F)(F)F)Cl)OCC)C(C1=CC(=CC=C1)C(F)(F)F)=O
3
ClC1=CC=C(C=C1)[Mg]Br.CN1C(N(C(C2=C1SC(=C2C=O)OC2=CC(=CC=C2)OC(F)(F)F)=O)CCCOC2OCCCC2)=O>C1CCCO1.ClCCl>ClC1=CC=C(C=C1)C(C1=C(SC=2N(C(N(C(C21)=O)CCCOC2OCCCC2)=O)C)OC2=CC(=CC=C2)OC(F)(F)F)O
3
N1C=NC=C1C=O.Cl.C1(=CC=CC=C1)\C=C(/C)\C1C(C1)N>C(C)(=O)O[BH-](OC(C)=O)OC(C)=O.[Na+].ClCCCl.C(O)([O-])=O.[Na+]>Cl.Cl.N1C=NC(=C1)CNC1C(C1)/C(=C/C1=CC=CC=C1)/C
3
[C:1]1([CH2:7][C:8](Cl)=[O:9])[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[Al+3].[Cl-].[Cl-].[Cl-].[C:15]1([S:21]([N:24]2[CH:28]=[CH:27][CH:26]=[CH:25]2)(=[O:23])=[O:22])[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=1.CCOC(C)=O>ClCCCl>[C:1]1([CH2:7][C:8]([C:26]2[CH:27]=[CH:28][N:24]([S:21]([C:15]3[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=3...
1
NC1=CC=CC=C1.BrC1=CC=2CCC2C=C1>C1(=CC=CC=C1)C.[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+].F[B-](F)(F)F.C(C)(C)(C)[PH+](C(C)(C)C)C(C)(C)C>C12=CC(=CC=C2CC1)N(C1=CC=2CCC2C=C1)C1=CC=CC=C1
3
[ClH:1].C(OC(=O)[NH:8][CH:9]1[CH2:12][N:11]([C:13]([C:15]2[N:16]=[C:17]3[C:22]([C:23]([F:26])([F:25])[F:24])=[CH:21][C:20]([C:27]4[CH:31]=[CH:30][O:29][CH:28]=4)=[CH:19][N:18]3[CH:32]=2)=[O:14])[CH2:10]1)(C)(C)C>O1CCOCC1>[ClH:1].[NH2:8][CH:9]1[CH2:10][N:11]([C:13]([C:15]2[N:16]=[C:17]3[C:22]([C:23]([F:25])([F:26])[F:24...
2
ClC1=NSC(=N1)NC=1C=C(C=CC1N(CC(C)C)C1CCCCC1)C(CC(=O)OC)(C)C>CO[H].[OH-].[Na+]>ClC1=NSC(=N1)NC=1C=C(C=CC1N(CC(C)C)C1CCCCC1)C(CC(=O)O)(C)C
3
CI.NC=1NC2=C(N1)C=CC=C2>>NC1=NC2=C(N1C)C=CC=C2
5
ClC=1C(N(C(=CC1OCC1=NC=C(C=C1F)F)C)C1=C(C(=NC=C1)C1=NC(=NC=C1)C(C(=O)OC)(C)C)C)=O>O.C1CCCO1.[OH-].[Li+]>ClC=1C(N(C(=CC1OCC1=NC=C(C=C1F)F)C)C1=C(C(=NC=C1)C1=NC(=NC=C1)C(C(=O)O)(C)C)C)=O
3
NC=1C(=CC=C2C=CN=CC12)C(F)(F)F.FC=1C(=CC=C2C=CN=CC12)C(F)(F)F>[HH]>FC=1C(=CC=C2CCNCC12)C(F)(F)F
3
COC(NC1=C(C(=C(C=C1)F)C(O)C1=CNC2=NC=C(C=C21)Br)F)=O>>COC(NC1=C(C(=C(C=C1)F)C(=O)C1=CNC2=NC=C(C=C21)Br)F)=O
5
C(=O)(OC(C)(C)C)OC(=O)OC(C)(C)C.Cl.NCC(=O)C=1N(N=C2C=CC=CC12)C>ClCCl.CCN(CC)CC>CN1N=C2C=CC=CC2=C1C(CNC(OC(C)(C)C)=O)=O
3
[H-].[Na+].[Si](O[C@@H]1[C@@H](CCOS(C)(=O)=O)CN(C(OC(C)(C)C)=O)C1)(C(C)(C)C)(C)C.C(S)CCCCC.[Si]([O:44][C@@H:45]1[C@@H:49]([CH2:50][CH2:51][S:52][CH2:53][CH2:54][CH2:55][CH2:56][CH2:57][CH3:58])[CH2:48][N:47](C(OC(C)(C)C)=O)[CH2:46]1)(C(C)(C)C)(C)C.Cl>CN(C=O)C.C1(C)C=CC=CC=1.CO>[CH2:53]([S:52][CH2:51][CH2:50][C@H:49]1[C...
2
[C:1]([O-:4])(=[O:3])[CH3:2].[Cu+2:5].[C:6]([O-:9])(=[O:8])[CH3:7].[Cu]>O>[OH2:3].[C:6]([O-:9])(=[O:8])[CH3:7].[Cu+2:5].[C:1]([O-:4])(=[O:3])[CH3:2]
1
[Cl:1][C:2]1[N:7]=[C:6]([C:8](OC)=[O:9])[CH:5]=[C:4]([N:12]2[CH2:16][C@H:15]([OH:17])[C@@H:14]([OH:18])[CH2:13]2)[N:3]=1.[NH3:19]>CO>[Cl:1][C:2]1[N:7]=[C:6]([C:8]([NH2:19])=[O:9])[CH:5]=[C:4]([N:12]2[CH2:16][C@H:15]([OH:17])[C@@H:14]([OH:18])[CH2:13]2)[N:3]=1
1
[ClH:1].[CH2:2]([N:4]1[C:8]2=[N:9][CH:10]=[C:11]([C:20]3[O:24][N:23]=[C:22]([CH2:25][CH:26]4[CH2:31][CH2:30][N:29](C(OC(C)(C)C)=O)[CH2:28][CH2:27]4)[N:21]=3)[C:12]([NH:13][CH:14]3[CH2:19][CH2:18][O:17][CH2:16][CH2:15]3)=[C:7]2[CH:6]=[N:5]1)[CH3:3]>O1CCOCC1>[ClH:1].[CH2:2]([N:4]1[C:8]2[N:9]=[CH:10][C:11]([C:20]3[O:24][N...
1
NCCNC1=NC(=NC(=C1)C)NC(=O)NC1=CC(=C(C=C1)Cl)Cl>ClCCl.CCN(CC)CC.CS(=O)(=O)Cl>ClC=1C=C(C=CC1Cl)NC(NC1=NC(=CC(=N1)NCCNS(=O)(=O)C)C)=O
3
ClC1=CNC2=NC=C(C=C21)CN.CC=1C=NC2=C(C=C(C=C2C1)CC=1C=C(C(=O)O)C=CN1)S(N)(=O)=O>N(C)(C)C=O.CCN(CC)CC.OC1=CC=CC=2NN=NC21.CCN=C=NCCCN(C)C>ClC1=CNC2=NC=C(C=C21)CNC(C2=CC(=NC=C2)CC=2C=C1C=C(C=NC1=C(C2)S(N)(=O)=O)C)=O
3
CC1(CC(CC(N1)=O)=O)C.NC=1C(=NC(=NC1OC)Cl)S>CCN(CC)CC.CCO[H]>ClC=1N=C(C=2NC3=C(SC2N1)C(NC(C3)(C)C)=O)OC
3
[S:1]([Cl:5])(Cl)(=[O:3])=[O:2].[NH:6]1[CH2:11][CH2:10][O:9][CH2:8][CH2:7]1>C(#N)C>[N:6]1([S:1]([Cl:5])(=[O:3])=[O:2])[CH2:11][CH2:10][O:9][CH2:8][CH2:7]1
1
C([N:8]1[CH2:12][C@H:11]([C:13]2([NH:16][C:17]([O:19][C:20]([CH3:23])([CH3:22])[CH3:21])=[O:18])[CH2:15][CH2:14]2)[C@H:10]([CH2:24][OH:25])[CH2:9]1)C1C=CC=CC=1>CO.[C].[Pd]>[C:20]([O:19][C:17]([NH:16][C:13]1([C@H:11]2[CH2:12][NH:8][CH2:9][C@H:10]2[CH2:24][OH:25])[CH2:14][CH2:15]1)=[O:18])([CH3:23])([CH3:22])[CH3:21]
1
[C:1]([C@@H:4]1[CH2:8][C@@H:7]([OH:9])[CH2:6][N:5]1[C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])(=O)[NH2:2].FC(F)(F)C(OC(=O)C(F)(F)F)=O>N1C=CC=CC=1>[C:1]([C@@H:4]1[CH2:8][C@@H:7]([OH:9])[CH2:6][N:5]1[C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])#[N:2]
1
FC1=CC=C2[C@@H](CCOC2=C1)NC(=O)[C@H]1N(C[C@@H]2N(C1)C[C@@H](C2)OCC(F)(F)F)C(=O)OC(C)(C)C>Cl.C(C)(=O)OCC>FC1=CC=C2[C@@H](CCOC2=C1)NC(=O)[C@H]1NC[C@@H]2N(C1)C[C@@H](C2)OCC(F)(F)F
3
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:8][C:9]2[CH:14]=[CH:13][C:12]([CH2:15][CH2:16][CH:17]=[O:18])=[CH:11][CH:10]=2)=[N:6][CH:7]=1.[CH3:19][CH:20]1[NH:24][C:23](=[O:25])[NH:22][C:21]1=[O:26]>>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]([O:8][C:9]2[CH:14]=[CH:13][C:12]([CH2:15][CH2:16][CH:17]([C:20]3([CH3:19])[NH:24][C:23](=[O:25])[NH:...
2
C(=O)C=1N=C(NC1)C1=CC=CC=C1>>C1(=CC=CC=C1)C=1N(C=C(N1)C=O)S(=O)(=O)C=1C=NC=CC1
5
CS(O)(=O)=O.[C:6]([NH:9][C:10]1[CH:15]=[CH:14][NH:13][C:12](=[O:16])[N:11]=1)(=[O:8])[CH3:7].C[Si](C)(C)N[Si](C)(C)C.CN(C1C=CC=CN=1)C.O[C@@H:36]1[O:40][C@@H:39]([C:41]([O:43][C@@H:44]2[CH2:49][C@H:48]([CH3:50])[CH2:47][CH2:46][C@H:45]2[CH:51]([CH3:53])[CH3:52])=[O:42])[S:38][CH2:37]1.C1(P(Cl)(C2C=CC=CC=2)=O)C=CC=CC=1.C...
2
C[O:2][C:3]([C:5]1[CH:6]=[C:7]2[C:11](=[CH:12][CH:13]=1)[NH:10][C:9]([CH2:14][N:15]1[CH2:19][CH2:18][CH2:17][CH2:16]1)=[CH:8]2)=O.[H-].[Al+3].[Li+].[H-].[H-].[H-]>C1COCC1>[N:15]1([CH2:14][C:9]2[NH:10][C:11]3[C:7]([CH:8]=2)=[CH:6][C:5]([CH2:3][OH:2])=[CH:13][CH:12]=3)[CH2:19][CH2:18][CH2:17][CH2:16]1
2
NC(CN1C(C2=CC=C(C=C2C(=C1C#N)C1=CC=CC=C1)OC)=O)CO[Si](C1=CC=CC=C1)(C1=CC=CC=C1)C(C)(C)C>>NC(CN1C(C2=CC=C(C=C2C(=C1C#N)C1=CC=CC=C1)OC)=O)CO
5
[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]3[C:12]([CH2:15][O:16][CH3:17])=[N:13][N:14]=[C:10]3[CH:9]([CH2:18][C:19]([O:21]CC)=[O:20])[O:8][CH:7]([C:24]3[CH:29]=[CH:28][CH:27]=[C:26]([O:30][CH3:31])[C:25]=3[O:32][CH3:33])[C:6]=2[CH:34]=1>O1CCOCC1.Cl>[Cl:1][C:2]1[CH:3]=[CH:4][C:5]2[N:11]3[C:12]([CH2:15][O:16][CH3:17])=[N:13][...
2
CI.C(C)(C)(C)OC(=O)N[C@@H]1C(C[C@H](OC1)C(=O)O)=O>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)(C)(C)OC(=O)N[C@@H]1C(C[C@H](OC1)C(=O)OC)=O
3
[CH2:1]([C:4]1[NH:8][N:7]=[C:6]([C:9]2[CH:14]=[CH:13][C:12]([CH3:15])=[CH:11][CH:10]=2)[C:5]=1[C:16]1[CH:21]=[CH:20][CH:19]=[CH:18][CH:17]=1)[CH:2]=C.ClCCl.[BH4-].[Na+].C[OH:28]>>[C:16]1([C:5]2[C:6]([C:9]3[CH:14]=[CH:13][C:12]([CH3:15])=[CH:11][CH:10]=3)=[N:7][NH:8][C:4]=2[CH2:1][CH2:2][OH:28])[CH:21]=[CH:20][CH:19]=[C...
1
C([O-])(O)=O.[Na+].Cl.[NH2:7][C@@H:8]([CH2:24][C:25]1[CH:30]=[CH:29][C:28]([OH:31])=[C:27]([OH:32])[CH:26]=1)[C:9]([O:11][CH2:12][C@H:13]([O:15][C:16]([C:18]1[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=1)=[O:17])[CH3:14])=[O:10].[CH3:33][S:34]([OH:37])(=[O:36])=[O:35].C(OCC)(=O)C>O>[S:34]([OH:37])(=[O:36])(=[O:35])[CH3:33].[...
1
[N+:1]([C:4]1[CH:12]=[CH:11][C:10]([N:13]2[CH2:18][CH2:17][CH2:16][CH2:15][CH2:14]2)=[CH:9][C:5]=1[C:6]([OH:8])=O)([O-:3])=[O:2].[C:19]1([C:25]2[N:30]=[CH:29][C:28]([NH2:31])=[CH:27][N:26]=2)[CH:24]=[CH:23][CH:22]=[CH:21][CH:20]=1.Cl.CN(C)CCCN=C=NCC>ClCCl.CN(C)C1C=CN=CC=1.O>[N+:1]([C:4]1[CH:12]=[CH:11][C:10]([N:13]2[CH...
1
CS(=O)(=O)Cl.ClC1=CC=C(C=C1)C(=O)C1=C(C=CC=C1)C=1C(=NOC1C)C(C)O>ClCCl.CCN(CC)CC.[N-]=[N+]=[N-].[Na+]>N(=[N+]=[N-])C(C)C1=NOC(=C1C1=C(C=CC=C1)C(=O)C1=CC=C(C=C1)Cl)C
3
BrC1=CC(=C(O[C@@H](CO)C)C(=C1)F)F>ClCCl.CCN(CC)CC.C(C(=O)Cl)(=O)Cl.CS(=O)C>BrC1=CC(=C(O[C@@H](C=O)C)C(=C1)F)F
3
C(C)(C)(C)[Si](C)(C)Cl.C(C)(C)(C)OC(N[C@@H]([C@H](CO)O)C1=CC=CC=C1)=O>c1cnc[nH]1.ClCCl>C(C)(C)(C)OC(N[C@@H]([C@H](CO[Si](C)(C)C(C)(C)C)O)C1=CC=CC=C1)=O
3
[CH3:1][O:2][C:3](=[O:11])[CH:4]([NH:7][C:8](=[O:10])[CH3:9])[CH:5]=O.O=S(Cl)Cl>C(Cl)(Cl)Cl>[CH3:1][O:2][C:3]([C:4]1[N:7]=[C:8]([CH3:9])[O:10][CH:5]=1)=[O:11]
1
[Br:1][C:2]1[CH:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[C:7]1[NH:12][C:13]3[CH:18]=[CH:17][CH:16]=[CH:15][C:14]=3[N:6]1[C:5]2=[O:19].[C:20]([C:24]1[CH:32]=[CH:31][CH:30]=[CH:29][C:25]=1[C:26](Cl)=[O:27])([O:22][CH3:23])=[O:21]>>[C:20]([C:24]1[CH:32]=[CH:31][CH:30]=[CH:29][C:25]=1[C:26]([N:12]1[C:7]2=[N:8][C:9]3[C:4]([C...
1
C(C)(C)(C)OC(=O)N(C1=C(C=2N(C=N1)N=CC2C(=O)OC)OC)C(=O)OC(C)(C)C>O.CO[H].[OH-].[Na+]>C(C)(C)(C)OC(=O)N(C1=C(C=2N(C=N1)N=CC2C(=O)O)OC)C(=O)OC(C)(C)C
3
[F:1][C:2]1[CH:3]=[C:4]([C:8]2[CH:16]=[CH:15][CH:14]=[C:13]3[C:9]=2[CH2:10][C:11](=[O:17])[NH:12]3)[CH:5]=[CH:6][CH:7]=1.[N:18]1([CH2:23][CH2:24][NH:25][C:26]([C:28]2[C:32]([CH3:33])=[C:31]([CH:34]=O)[NH:30][C:29]=2[CH3:36])=[O:27])[CH:22]=[CH:21][N:20]=[N:19]1>C(O)C.N1CCCCC1>[N:18]1([CH2:23][CH2:24][NH:25][C:26]([C:28...
1
[CH3:1][C:2]1[C:3]([C:22]2[CH:27]=[CH:26][CH:25]=[C:24]([C:28]([F:31])([F:30])[F:29])[CH:23]=2)=[N:4][C:5]2[C:10]([C:11]=1[C:12]([O:14]C)=[O:13])=[CH:9][C:8]([S:16]([CH3:19])(=[O:18])=[O:17])=[C:7]([O:20]C)[CH:6]=2.Br>C(O)(=O)C.O>[OH:20][C:7]1[CH:6]=[C:5]2[C:10]([C:11]([C:12]([OH:14])=[O:13])=[C:2]([CH3:1])[C:3]([C:22]...
1
ClC1C=CC=C(C(OO)=[O:9])C=1.[Br:12][C:13]1[C:22]([CH3:23])=[CH:21][CH:20]=[C:19]2[C:14]=1[CH:15]=[CH:16][CH:17]=[N:18]2>C(Cl)Cl>[Br:12][C:13]1[C:22]([CH3:23])=[CH:21][CH:20]=[C:19]2[C:14]=1[CH:15]=[CH:16][CH:17]=[N+:18]2[O-:9]
2
[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[C:9]([C:20]([O:22]C)=[O:21])=[N:10][N:11]([C:13]2[CH:18]=[CH:17][N:16]=[C:15]([Cl:19])[CH:14]=2)[CH:12]=1.[OH-].[Na+].C1COCC1>O>[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[C:8]1[C:9]([C:20]([OH:22])=[O:21])=[N:10][N:11]([C:13]2[CH:18]=[CH:17][N:16]=[C:15]([Cl:19])[C...
2
[H-].[Na+].[C:3]([C:6]([NH:12][C:13](=[O:24])[C:14]1[C:15](=[CH:20][CH:21]=[CH:22][CH:23]=1)[C:16](OC)=O)([CH3:11])[C:7]([CH3:10])([CH3:9])[CH3:8])(=[O:5])[NH2:4]>C1(C)C=CC=CC=1>[C:7]([C:6]1([CH3:11])[N:12]2[C:13](=[O:24])[C:14]3[C:15]([C:16]2=[N:4][C:3]1=[O:5])=[CH:20][CH:21]=[CH:22][CH:23]=3)([CH3:10])([CH3:9])[CH3:8...
1
CI.C(C)(=O)N1CCNCC1>CC#N.C1CCCO1.ClCCl.C(=O)(C=1NC=CN1)C=1NC=CN1>[I-].C(C)(=O)N1CCN(CC1)C(=O)[NH+]1CN(C=C1)C
3
NC1=C(C=CC=C1)C(N)=S.ClC(C(=O)NC)C(=O)C>CCO[H]>NC1=C(C=CC=C1)C=1SC(=C(N1)C)C(=O)NC
3
CI.FC=1C=CC(=NC1)C=1C=NN(C1)CCNC(C1=C(C=CC(=C1)C)N1N=CC=N1)=O>>FC=1C=CC(=NC1)C=1C=NN(C1)CCN(C(C1=C(C=CC(=C1)C)N1N=CC=N1)=O)C
5
ClC1=NC(=CC=C1C(=O)NS(=O)(=O)C=1C(=NN(C1)CCCC1CC(N(C1)C(=O)OC(C)(C)C)(C)C)C)N1N=C(C=C1)OCCC1(CC1)C(F)(F)F>O1CCOCC1.C(O)([O-])=O.[Na+]>ClC1=NC(=CC=C1C(=O)NS(=O)(=O)C=1C(=NN(C1)CCCC1CNC(C1)(C)C)C)N1N=C(C=C1)OCCC1(CC1)C(F)(F)F
3
C(C1=CC=CC=C1)OC=1C=C(C=NC1)N1CCN(CC1)C(=O)C=1N(N=C(C1)C)C1=CC=CC=C1>>OC=1C=C(C=NC1)N1CCN(CC1)C(=O)C=1N(N=C(C1)C)C1=CC=CC=C1
5
CI.N1=CC=C(C=C1)CC(=O)OCC>>N1=CC=C(C=C1)C(C(=O)OCC)C
5
ClC1=NC=C(C(=N1)Cl)C>>ClC1=NC=C(C(=N1)N)C
5
[C:1]1([C:7]2[N:8]=[C:9]([C:18]3[C@:19]([O:49][Si](C)(C)C)([CH2:24][C:25]4[CH:30]=[CH:29][CH:28]=[C:27]([O:31][Si](C(C)(C)C)(C5C=CC=CC=5)C5C=CC=CC=5)[CH:26]=4)[CH2:20][CH2:21][CH2:22][CH:23]=3)[O:10][C:11]=2[C:12]2[CH:17]=[CH:16][CH:15]=[CH:14][CH:13]=2)[CH:6]=[CH:5][CH:4]=[CH:3][CH:2]=1.[F-].C([N+](CCCC)(CCCC)CCCC)CCC...
1
[CH3:1][O:2][C:3]1[CH:4]=[C:5]2[C:10](=[CH:11][C:12]=1[N+:13]([O-])=O)[NH:9][C:8](=[O:16])[CH2:7][CH2:6]2.CN(C)C=O.[H][H]>C(OCC)(=O)C.CO.[Pd]>[NH2:13][C:12]1[CH:11]=[C:10]2[C:5]([CH2:6][CH2:7][C:8](=[O:16])[NH:9]2)=[CH:4][C:3]=1[O:2][CH3:1]
1
CI.[Na].S(=O)(=O)=CC1=NC(=CN=C1)C>>CN1CC(=NC(=C1)C)C=S(=O)=O
3
[F:1][C:2]([F:36])([F:35])[C:3]1[CH:4]=[C:5]([C@H:13]([O:15][C@H:16]2[CH2:21][CH2:20][N:19]([C:22](=[O:28])[CH2:23][CH2:24][C:25]([OH:27])=O)[CH2:18][C@H:17]2[C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[CH3:14])[CH:6]=[C:7]([C:9]([F:12])([F:11])[F:10])[CH:8]=1.[NH:37]1[CH2:41][CH2:40][CH2:39][CH2:38]1>>[F:35][C:2]([...
2
[H-].[Na+].[F:3][C:4]1[C:9]([F:10])=[CH:8][CH:7]=[CH:6][C:5]=1[CH2:11][S:12][C:13]1[N:18]=[C:17]([NH:19][S:20]([N:23]2[CH2:26][CH2:25][CH2:24]2)(=[O:22])=[O:21])[CH:16]=[C:15]([O:27][CH3:28])[N:14]=1.ClC1C=C(OC)N=C(SCC2C=CC=C(F)C=2F)N=1.[CH3:48][O:49][C:50]1[CH:57]=[CH:56][C:53]([CH2:54]Cl)=[CH:52][CH:51]=1.[I-].[K+]>C...
1
[CH:1]([C:4]1[CH:18]=[C:17]([O:19][CH3:20])[C:16]([N+:21]([O-])=O)=[CH:15][C:5]=1[O:6][C:7]1[C:8]([NH2:14])=[N:9][C:10]([NH2:13])=[N:11][CH:12]=1)([CH3:3])[CH3:2]>C(O)C.[Pd]>[NH2:21][C:16]1[C:17]([O:19][CH3:20])=[CH:18][C:4]([CH:1]([CH3:3])[CH3:2])=[C:5]([CH:15]=1)[O:6][C:7]1[C:8]([NH2:14])=[N:9][C:10]([NH2:13])=[N:11]...
1
Br[C:2]1[C:7](=[O:8])[N:6]2[N:9]=[CH:10][C:11]([C:12]#[N:13])=[C:5]2[NH:4][C:3]=1[CH3:14].[O:15]1[CH:19]=[CH:18][CH:17]=[C:16]1B(O)O.C(=O)([O-])[O-].[Na+].[Na+].Cl>C(O)C.O.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>[O:15]1[CH:19]=[CH:18][CH:17]=[C:16]1[C:2]1[C:7](=[O:8]...
2
C(C=C)OC1=C(C=C(C(=C1)Cl)Cl)[C@H](N[S@@](=O)C(C)(C)C)C1CCNCC1.IC1=NN(C=C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1>[Cu]I.CS(=O)C.C(=O)([O-])[O-].[Cs+].[Cs+].N1[C@H](C(=O)O)CCC1>ClC1=CC(=C(C=C1Cl)[C@H](N[S@@](=O)C(C)(C)C)C1CCN(CC1)C1=NN(C=C1)C(C1=CC=CC=C1)(C1=CC=CC=C1)C1=CC=CC=C1)OCC=C
3
CS(O[CH2:6][CH2:7][O:8][CH:9]([C:21]1[CH:26]=[C:25]([Cl:27])[CH:24]=[CH:23][C:22]=1[CH3:28])[CH2:10][CH2:11][N:12]([C:14]([O:16][C:17]([CH3:20])([CH3:19])[CH3:18])=[O:15])[CH3:13])(=O)=O.CN(C=O)C.[N-:34]=[N+:35]=[N-:36].[Na+]>C(OCC)(=O)C>[N:34]([CH2:6][CH2:7][O:8][CH:9]([C:21]1[CH:26]=[C:25]([Cl:27])[CH:24]=[CH:23][C:2...
1
C[O:2][C:3]1[CH:4]=[C:5]2[C:9](=[CH:10][CH:11]=1)[C@H:8]([C@H:12]([CH2:17][CH3:18])[C:13]([O:15][CH3:16])=[O:14])[CH2:7][CH2:6]2.[Al+3].[Cl-].[Cl-].[Cl-].CCS>C(Cl)Cl>[OH:2][C:3]1[CH:4]=[C:5]2[C:9](=[CH:10][CH:11]=1)[C@H:8]([C@H:12]([CH2:17][CH3:18])[C:13]([O:15][CH3:16])=[O:14])[CH2:7][CH2:6]2
1
ClCCl.CC(C)O.CN1C=C(C=CC1=O)C1=CC=C(C=C1)[C@H](C)N1C(N[C@](CCC1)(C1=CC=CC=C1)CC(=C)C)=O>C1(=CC=CC=C1)[SiH3].[AlH3].[Co]>OC(C[C@]1(NC(N(CCC1)[C@@H](C)C1=CC=C(C=C1)C1=CN(C(C=C1)=O)C)=O)C1=CC=CC=C1)(C)C
3
COC(C(CC1CCCC1)C1=CC(=C(C=C1)Cl)[N+](=O)[O-])=O>>ClC1=C(C=C(C=C1)C(C(=O)O)CC1CCCC1)[N+](=O)[O-]
5
Cl[O-].[K+].NC1CCC(CC1)N1C(NCC1)=O>C(C)(=O)OCC.[Cl-].C(C1=CC=CC=C1)[N+](CCCC)(CCCC)CCCC>O=C1CCC(CC1)N1C(NCC1)=O
3
Cl.FC1=CC=C(C=C1)C(C1CNCCC1=O)C1=CC=C(C=C1)F.FC(C1=C(CBr)C=CC(=C1)C(F)(F)F)(F)F>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>FC1=CC=C(C=C1)C(C1CN(CCC1=O)CC1=C(C=C(C=C1)C(F)(F)F)C(F)(F)F)C1=CC=C(C=C1)F
3
FC1=CC=C(C=C1)[N+](=O)[O-].C(C)(C)NCCN>N(C)(C)C=O.C([O-])([O-])=O.[K+].[K+]>C(C)(C)NCCNC1=CC=C(C=C1)[N+](=O)[O-]
3
C(C1=CC=CC=C1)(C1=CC=CC=C1)=NN.C1(CCC(C)O1)=O>ClCCl.CCCCCCC.C[Al](C)C>C1(=CC=CC=C1)C(=NNC(CCC(C)O)=O)C1=CC=CC=C1
3
CC(CN1C2=CC=CC=C2C=2C=C(C=CC12)B1OC(C(O1)(C)C)(C)C)C.BrC=1C=CC=2N(C3=CC=C(C=C3C2C1)Br)CC(C)C>C1(=CC=CC=C1)C.O.C([O-])([O-])=O.[Na+].[Na+].c1ccc(cc1)[P](c2ccccc2)(c3ccccc3)[Pd]([P](c4ccccc4)(c5ccccc5)c6ccccc6)([P](c7ccccc7)(c8ccccc8)c9ccccc9)[P](c1ccccc1)(c1ccccc1)c1ccccc1>BrC=1C=CC=2N(C3=CC=C(C=C3C2C1)C=1C=CC=2N(C3=CC=...
3
C(C1=CC=CC=C1)Br.BrC1=CNC(C2=CC=CC=C12)=O>>C(C1=CC=CC=C1)N1C(C2=CC=CC=C2C(=C1)Br)=O
5
ClC1=C(C=CC=C1)Cl.C(C=C)OC1=CC(=C(C(=O)C2=CC=CC=C2)C=C1)O>>OC1=C(C(=O)C2=CC=CC=C2)C=CC(=C1CC=C)O
5
COC(=O)NC1=CC=C(C=C1)C=1N=C(NC1)C1N(CCCC1C1=CC=CC=C1)C(=O)OC(C)(C)C>CC#N.ClN1C(CCC1=O)=O>ClC1=C(N=C(N1)[C@H]1NCCC[C@H]1C1=CC=CC=C1)C1=CC=C(C=C1)NC(OC)=O
3
BrC1=C(C(=CC=C1)F)[N+](=O)[O-].C(C1=CC=CC=C1)OC1=NC(=CC=C1N)OCC1=CC=CC=C1>CC(C)(C)[O-].[K+].C1CCCO1>C(C1=CC=CC=C1)OC1=NC(=CC=C1NC1=C(C(=CC=C1)Br)[N+](=O)[O-])OCC1=CC=CC=C1
3
CI.OC1=CC=C2C=CC(NC2=C1)=O>CCO[H].C([O-])([O-])=O.[K+].[K+]>COC1=CC=C2C=CC(NC2=C1)=O
3
[CH2:1]([N:8]1[CH2:12][CH2:11][CH:10](O)[CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>CCCCCC.C(O)(C)C>[CH2:1]([N:8]1[CH2:12][CH2:11][CH2:10][CH2:9]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1
2
[CH3:1]COCC.C[Si](C=[N+]=[N-])(C)C.[Cl:13][C:14]1[CH:15]=[C:16]([C:42]([OH:44])=[O:43])[C:17]2[C:18]([CH:41]=1)=[N:19][N:20]([CH2:22][C:23]([C:39]#[N:40])([NH:25][C:26]([C:28]1[CH:33]=[CH:32][C:31]([O:34][C:35]([F:38])([F:37])[F:36])=[CH:30][CH:29]=1)=[O:27])[CH3:24])[N:21]=2>C1COCC1.CO>[Cl:13][C:14]1[CH:15]=[C:16]([C:...
1
[C:1]1([CH:9]=[C:7]([OH:8])[CH:6]=[C:4]([OH:5])[CH:3]=1)[OH:2].[C:10]([CH2:14][C:15](OCC)=[O:16])(=O)[CH2:11][CH3:12]>>[CH2:11]([C:10]1[C:9]2[C:1](=[CH:3][C:4]([OH:5])=[CH:6][C:7]=2[OH:8])[O:2][C:15](=[O:16])[CH:14]=1)[CH3:12]
2
[CH3:1][S:2][C:3]1[CH:10]=[CH:9][C:6]([CH2:7]O)=[CH:5][C:4]=1[C:11]([F:14])([F:13])[F:12].S(Cl)([Cl:17])=O>C1(C)C=CC=CC=1>[CH3:1][S:2][C:3]1[CH:10]=[CH:9][C:6]([CH2:7][Cl:17])=[CH:5][C:4]=1[C:11]([F:14])([F:13])[F:12]
1
[CH2:1]([O:8][C:9]1[CH:17]=[CH:16][C:12]([C:13]([OH:15])=O)=[C:11]([CH2:18][C:19]([OH:21])=[O:20])[CH:10]=1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1>C(Cl)(=O)C>[CH2:1]([O:8][C:9]1[CH:10]=[C:11]2[C:12](=[CH:16][CH:17]=1)[C:13](=[O:15])[O:21][C:19](=[O:20])[CH2:18]2)[C:2]1[CH:3]=[CH:4][CH:5]=[CH:6][CH:7]=1
1
C(N(CC)CC)C.[NH2:8][C:9]1[C:18]2[N:19]=[C:20]([CH2:31][CH3:32])[N:21]([CH2:22][CH2:23][CH2:24][CH2:25][NH:26][S:27]([CH3:30])(=[O:29])=[O:28])[C:17]=2[C:16]2[CH:15]=[CH:14][CH:13]=[CH:12][C:11]=2[N:10]=1.Cl[C:34]([O:36][CH2:37][CH3:38])=[O:35]>CN(C)C=O>[CH2:31]([C:20]1[N:21]([CH2:22][CH2:23][CH2:24][CH2:25][NH:26][S:27...
1
[CH2:1]([C@H:4]1[CH2:9][CH2:8][C@H:7]([C@H:10]2[CH2:15][CH2:14][C@H:13]([C:16]3[CH:21]=[C:20]([F:22])[CH:19]=[C:18]([F:23])[CH:17]=3)[CH2:12][CH2:11]2)[CH2:6][CH2:5]1)[CH2:2][CH3:3].C([Li])CCC.CCCCCC.[C:35]1([C@@H:41]([CH3:45])[C:42](Cl)=[O:43])[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=1.Cl>[Cl-].[Zn+2].[Cl-].C1C=CC([P]([P...
1
[CH3:1][NH:2][CH3:3].[CH3:4][C:5]1([CH3:28])[O:9][N:8]=[C:7]([S:10][CH2:11][C:12]2[C:13]([C:24]([F:27])([F:26])[F:25])=[N:14][N:15]([C:18]3[CH:23]=[CH:22][CH:21]=[CH:20][CH:19]=3)[C:16]=2F)[CH2:6]1.O>CN(C)C=O>[CH3:4][C:5]1([CH3:28])[O:9][N:8]=[C:7]([S:10][CH2:11][C:12]2[C:13]([C:24]([F:27])([F:26])[F:25])=[N:14][N:15](...
1
[OH:1][CH2:2][CH2:3][C:4]1([CH3:19])[CH2:9][CH2:8][C:7]2[C:10]([CH3:18])=[C:11]([O:16][CH3:17])[C:12]([CH3:15])=[C:13]([CH3:14])[C:6]=2[O:5]1.[C:20]1([CH3:30])[CH:25]=[CH:24][C:23]([S:26](Cl)(=[O:28])=[O:27])=[CH:22][CH:21]=1.Cl>N1C=CC=CC=1>[CH3:17][O:16][C:11]1[C:12]([CH3:15])=[C:13]([CH3:14])[C:6]2[O:5][C:4]([CH2:3][...
1
[F:1][C:2]([F:14])([F:13])[C:3]1[N:8]=[C:7]([CH3:9])[C:6]([C:10](Cl)=[O:11])=[CH:5][CH:4]=1.[Cl:15][C:16]1[CH:22]=[CH:21][C:19]([NH2:20])=[CH:18][C:17]=1[C:23]1[CH:28]=[CH:27][CH:26]=[CH:25][N:24]=1.CCOC(C)=O>C1COCC1>[Cl:15][C:16]1[CH:22]=[CH:21][C:19]([NH:20][C:10]([C:6]2[C:7]([CH3:9])=[N:8][C:3]([C:2]([F:14])([F:13])...
1
C[C:2]([O:4][CH2:5][C:6]1[CH2:15][S:14][C@@H:9]2[C@H:10]([NH2:13])[C:11](=[O:12])[N:8]2[C:7]=1[C:16]([OH:18])=[O:17])=O.S(=O)(=O)(O)O.B(OC)(OC)OC>ClCCl>[NH2:13][CH:10]1[C:11](=[O:12])[N:8]2[C:7]([C:16]([OH:18])=[O:17])=[C:6]([CH2:5][O:4][CH3:2])[CH2:15][S:14][C@H:9]12
1
BrC1=CC=C2C=3C(C4=C(C(C3NC2=C1)(C)C)C=C(C=C4)OC[C@H]4OC(O[C@@H]4CO[Si](C)(C)C(C)(C)C)(C)C)=O.CN([C@H]1[C@@H](CCCC1)N(C)C)C>[Cu]I.O1CCOCC1.[I-].[Na+]>[Si](C)(C)(C(C)(C)C)OC[C@@H]1[C@H](OC(O1)(C)C)COC=1C=CC2=C(C(C=3NC4=CC(=CC=C4C3C2=O)I)(C)C)C1
3