HRID1216291

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID6212

Chloroform

CHCl3

HCID8471

Triethylamine

C6H15N

HCID30165

Iodide ion

I-

HCID167070

2-Chloro-1-methylpyridinium

C6H7ClN+

HCID225219

p-Aminophenylacetic acid ethyl ester

C10H13NO2

HCID2908181

未命名化合物

PRODUCTS

生成物

结构：CCCCC(NS(=O)(=O)c1ccc(Br)cc1)C(=O)Nc1ccc(CC(=O)OCC)cc1

HCID19032850

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8bf85d55e48248ffa88fb8864689ecc0
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

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