HRID693565

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6344

Dichloromethane

CH2Cl2

HCID8857

Ethyl Acetate

C4H8O2

HCID25134

Boron tribromide

BBr3

HCID66960736

未命名化合物

PRODUCTS

产物

HCID66960761

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-ffab4cc87303446ba6002a2b16a6ff88
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

[B:36]([Br:37])([Br:38])[Br:39].[C:40](=[O:41])([OH:42])[O-:43].[CH2:1]([Cl:2])[Cl:3].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[Na+:44].[c:4]1(-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:5][c:6]([CH2:10][NH:11][C:12]([CH:13]=[CH:14][c:15]2[cH:16][c:17]([O:27][CH3:28])[c:18](-[n:21]3[cH:22][n:23][c:24]([CH3:26])[cH:25]3)[cH:19][cH:20]2)=[O:29])[cH:7][cH:8][cH:9]1>>[c:4]1(-[c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[cH:5][c:6]([CH2:10][NH:11][C:12]([CH:13]=[CH:14][c:15]2[cH:16][c:17]([OH:27])[c:18](-[n:21]3[cH:22][n:23][c:24]([CH3:26])[cH:25]3)[cH:19][cH:20]2)=[O:29])[cH:7][cH:8][cH:9]1