HRID314576

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6344

Dichloromethane

CH2Cl2

HCID70297

Benzenecarboperoxoic acid, 3-chloro-

C7H5ClO3

结构：O=C(CSc1ccc(F)cc1)N(CCCCBr)OC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID86619940

未命名化合物

PRODUCTS

生成物

结构：O=C(CS(=O)(=O)c1ccc(F)cc1)N(CCCCBr)OC(c1ccccc1)(c1ccccc1)c1ccccc1

HCID86619941

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b70b06b91f2c4f9cb1b8858dafaaaf9e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]([C:7]([CH2:8][S:9][c:10]1[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]1)=[O:17])[O:18][C:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1.[Cl:50][CH2:51][Cl:52].[OH2:49].[OH:38][O:39][C:40]([c:41]1[cH:42][c:43]([Cl:44])[cH:45][cH:46][cH:47]1)=[O:48]>>[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][N:6]([C:7]([CH2:8][S:9]([c:10]1[cH:11][cH:12][c:13]([F:16])[cH:14][cH:15]1)(=[O:38])=[O:49])=[O:17])[O:18][C:19]([c:20]1[cH:21][cH:22][cH:23][cH:24][cH:25]1)([c:26]1[cH:27][cH:28][cH:29][cH:30][cH:31]1)[c:32]1[cH:33][cH:34][cH:35][cH:36][cH:37]1