HRID117330

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：Cc1ncc(-c2ccnc(Nc3ccc(S(=O)(=O)NC(C)(C)CO)cc3)n2)n1C

HCID69307815

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(S(=O)(=O)OCC(C)(C)NS(=O)(=O)c2ccc(Nc3nccc(-c4cnc(C)n4C)n3)cc2)cc1

HCID86598687

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-587a7f0d42964a72a293109ff7c0f8fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[OH2:47].[OH:1][CH2:2][C:3]([CH3:4])([CH3:5])[NH:6][S:7](=[O:8])(=[O:9])[c:10]1[cH:11][cH:12][c:13]([NH:14][c:15]2[n:16][cH:17][cH:18][c:19](-[c:21]3[cH:22][n:23][c:24]([CH3:27])[n:25]3[CH3:26])[n:20]2)[cH:28][cH:29]1.[c:30]1([CH3:40])[cH:31][cH:32][c:33]([S:36](=[O:37])(=[O:38])[Cl:39])[cH:34][cH:35]1.[cH:41]1[cH:42][cH:43][n:44][cH:45][cH:46]1>>[O:1]([CH2:2][C:3]([CH3:4])([CH3:5])[NH:6][S:7](=[O:8])(=[O:9])[c:10]1[cH:11][cH:12][c:13]([NH:14][c:15]2[n:16][cH:17][cH:18][c:19](-[c:21]3[cH:22][n:23][c:24]([CH3:27])[n:25]3[CH3:26])[n:20]2)[cH:28][cH:29]1)[S:36]([c:33]1[cH:32][cH:31][c:30]([CH3:40])[cH:35][cH:34]1)(=[O:37])=[O:38]