HRID157585

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)c1ccc(-c2cc(-c3nc(-c4ccc(F)c(F)c4)cc(C(F)(F)F)n3)ccn2)s1

HCID60209484

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1ccc(-c2cc(-c3nc(-c4ccc(F)c(F)c4)cc(C(F)(F)F)n3)ccn2)s1

HCID57469082

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1c7a992f98714f5599a2b377bed98176
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:1]([CH3:2])([CH3:3])([CH3:4])[NH:5][S:6](=[O:7])(=[O:8])[c:9]1[s:10][c:11](-[c:14]2[n:15][cH:16][cH:17][c:18](-[c:20]3[n:21][c:22]([C:34]([F:35])([F:36])[F:37])[cH:23][c:24](-[c:26]4[cH:27][c:28]([F:33])[c:29]([F:32])[cH:30][cH:31]4)[n:25]3)[cH:19]2)[cH:12][cH:13]1.[Cl:45][CH2:46][Cl:47].[F:38][C:39]([F:40])([F:41])[C:42]([OH:43])=[O:44]>>[NH2:5][S:6](=[O:7])(=[O:8])[c:9]1[s:10][c:11](-[c:14]2[n:15][cH:16][cH:17][c:18](-[c:20]3[n:21][c:22]([C:34]([F:35])([F:36])[F:37])[cH:23][c:24](-[c:26]4[cH:27][c:28]([F:33])[c:29]([F:32])[cH:30][cH:31]4)[n:25]3)[cH:19]2)[cH:12][cH:13]1