HRID1223343

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：CC(C)(C)SCc1cc(NC(=O)C(C)(C)C)ccc1Oc1cc(CC(=O)O)ccc1O

HCID44600128

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)C(=O)Nc1ccc(Oc2cc(CC(=O)O)ccc2O)c(CS(=O)C(C)(C)C)c1

HCID44600129

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28ce4545a91742b0b436071c282be0d4
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

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