HRID1226466

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

结构：CCCCCCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)O

HCID19032932

未命名化合物

PRODUCTS

生成物

结构：CCCCCCC(NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(CC(=O)OCC)cc1

HCID19032973

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9f405f1987754c04ba2b0befd4ff6369
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

[CH3:36][CH2:37][N:38]([CH2:39][CH3:40])[CH2:41][CH3:42].[CH3:44][n+:45]1[cH:46][cH:47][cH:48][cH:49][c:50]1[Cl:51].[CH:52]([Cl:53])([Cl:54])[Cl:55].[Cl: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][CH2:19][CH2:20][CH3:21])[cH:6][cH:7]1.[ClH:22].[I-:43].[NH2:23][c:24]1[cH:25][cH:26][c:27]([CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:28][cH:29]1>>[Cl: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:23][c:24]2[cH:25][cH:26][c:27]([CH2:30][C:31](=[O:32])[O:33][CH2:34][CH3:35])[cH:28][cH:29]2)[CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH3:21])[cH:6][cH:7]1