HRID1203217

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID6422

未命名化合物

结构：CC(C)(C)NS(=O)(=O)c1cccc(-c2cc(-c3nc(-c4ccc(F)c(F)c4)cc(C(F)(F)F)n3)ccn2)c1

HCID60209485

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1cccc(-c2cc(-c3nc(-c4ccc(F)c(F)c4)cc(C(F)(F)F)n3)ccn2)c1

HCID57469084

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6abb6ec430f14390aac63108e536d779
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])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[n:16][cH:17][cH:18][c:19](-[c:21]3[n:22][c:23]([C:35]([F:36])([F:37])[F:38])[cH:24][c:25](-[c:27]4[cH:28][c:29]([F:34])[c:30]([F:33])[cH:31][cH:32]4)[n:26]3)[cH:20]2)[cH:12][cH:13][cH:14]1.[Cl:46][CH2:47][Cl:48].[F:39][C:40]([F:41])([F:42])[C:43]([OH:44])=[O:45]>>[NH2:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[n:16][cH:17][cH:18][c:19](-[c:21]3[n:22][c:23]([C:35]([F:36])([F:37])[F:38])[cH:24][c:25](-[c:27]4[cH:28][c:29]([F:34])[c:30]([F:33])[cH:31][cH:32]4)[n:26]3)[cH:20]2)[cH:12][cH:13][cH:14]1