HRID675663

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID6344

Dichloromethane

CH2Cl2

HCID6365

1,1-Dichloroethane

C2H4Cl2

HCID2734671

3,4,5-Trifluorophenylboronic acid

C6H4BF3O2

结构：CC(N)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12

HCID58234976

未命名化合物

HCID178476681

未命名化合物

PRODUCTS

生成物

结构：CC(Nc1cc(F)c(F)c(F)c1)c1cc(C(=O)N(C)C)cc2c(=O)cc(N3CCOCC3)oc12

HCID52913705

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b648d290c4b4b91b29d7fe02d0a1a99
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:52]([O:53][Cu:54][O:55][C:56](=[O:57])[CH3:58])(=[O:59])[CH3:60].[Cl:38][CH:39]([Cl:40])[CH3:41].[Cl:48][CH2:49][Cl:50].[F:26][c:27]1[cH:28][c:29]([B:35]([OH:36])[OH:37])[cH:30][c:31]([F:34])[c:32]1[F:33].[NH2:1][CH:2]([CH3:3])[c:4]1[cH:5][c:6]([C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[cH:7][c:8]2[c:9](=[O:20])[cH:10][c:11]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[o:12][c:13]12.[OH2:51].[cH:42]1[cH:43][cH:44][n:45][cH:46][cH:47]1>>[NH:1]([CH:2]([CH3:3])[c:4]1[cH:5][c:6]([C:21](=[O:22])[N:23]([CH3:24])[CH3:25])[cH:7][c:8]2[c:9](=[O:20])[cH:10][c:11]([N:14]3[CH2:15][CH2:16][O:17][CH2:18][CH2:19]3)[o:12][c:13]12)[c:29]1[cH:28][c:27]([F:26])[c:32]([F:33])[c:31]([F:34])[cH:30]1