HRID1221492

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7397

p-Toluenesulfonyl chloride

C7H7ClO2S

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(C)nc1OCCN

HCID18184180

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1Oc1c(NS(=O)(=O)c2ccc(C)cn2)nc(C)nc1OCCNS(=O)(=O)c1ccc(C)cc1

HCID18184224

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e7ec96c2620d4d869a36fa53cf056a99
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

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