HRID2320248

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：COc1ccc(CC(SC)C(N)=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1

HCID9910329

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(CC(C(N)=O)S(C)=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1

HCID9955002

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dec6cb8d293a46c1828c7e4efff647f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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