HRID1229412

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID260

Hydrogen Bromide

BrH

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

结构：COc1ncccc1-c1cc(C(C)(C)C)cc(CCc2ccc(NS(C)(=O)=O)cc2)c1N

HCID67070018

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)c1cc(CCc2ccc(NS(C)(=O)=O)cc2)c(N)c(-c2ccc[nH]c2=O)c1

HCID67069927

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dff0134fa7ab45028b8ee8fa345d774f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[BrH:33].[C:39]([OH:40])(=[O:41])[CH3:42].[NH2:1][c:2]1[c:3]([CH2:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([NH:28][S:29](=[O:30])(=[O:31])[CH3:32])[cH:26][cH:27]2)[cH:4][c:5]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:6][c:7]1-[c:8]1[c:9]([O:14][CH3:15])[n:10][cH:11][cH:12][cH:13]1.[Na+:38].[O-:34][C:35]([OH:36])=[O:37]>>[NH2:1][c:2]1[c:3]([CH2:20][CH2:21][c:22]2[cH:23][cH:24][c:25]([NH:28][S:29](=[O:30])(=[O:31])[CH3:32])[cH:26][cH:27]2)[cH:4][c:5]([C:16]([CH3:17])([CH3:18])[CH3:19])[cH:6][c:7]1-[c:8]1[c:9](=[O:14])[nH:10][cH:11][cH:12][cH:13]1