HRID2146200

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID85518

2-Thiophenesulfonyl chloride

C4H3ClO2S2

结构：COc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2C(=O)OCc2ccccc2)cc1N

HCID10275115

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2nc3cc(Cl)c(Cl)cc3n2C(=O)OCc2ccccc2)cc1NS(=O)(=O)c1cccs1

HCID20760885

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a467c6557f1840f4adddb87394a4ceb6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[n:11]1[c:12](-[c:22]2[cH:23][c:24]([NH2:30])[c:25]([O:28][CH3:29])[cH:26][cH:27]2)[n:13][c:14]2[c:15]1[cH:16][c:17]([Cl:21])[c:18]([Cl:20])[cH:19]2.[OH2:46].[cH:31]1[cH:32][cH:33][n:34][cH:35][cH:36]1.[s:37]1[c:38]([S:42](=[O:43])(=[O:44])[Cl:45])[cH:39][cH:40][cH:41]1>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[n:11]1[c:12](-[c:22]2[cH:23][c:24]([NH:30][S:42]([c:38]3[s:37][cH:41][cH:40][cH:39]3)(=[O:43])=[O:44])[c:25]([O:28][CH3:29])[cH:26][cH:27]2)[n:13][c:14]2[c:15]1[cH:16][c:17]([Cl:21])[c:18]([Cl:20])[cH:19]2