HRID686107

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID7532

Benzenemethanesulfonic acid

C7H8O3S

结构：CC(C)OC(=O)CCCCCOc1cc2c(cc1N)nc(-c1ccccc1)n2-c1ccccc1

HCID67364042

未命名化合物

PRODUCTS

生成物

结构：CC(C)OC(=O)CCCCCOc1cc2c(cc1NS(=O)(=O)Cc1ccccc1)nc(-c1ccccc1)n2-c1ccccc1

HCID10211050

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7c0d44437bd2412ba2f1940c47e1402f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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