HRID156962

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID1049

Pyridine

C5H5N

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

结构：COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1N

HCID58980843

未命名化合物

PRODUCTS

生成物

结构：COc1cc(-n2cnc3cc(-c4ccc(Cl)cc4)sc3c2=O)ccc1NS(=O)(=O)c1ccc(C)cc1

HCID58980855

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bafa63c124784df9bdc0e1fe4058c40f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

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