HRID110018

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(-c2cccc(-c3nc(-c4ccc(C(F)(F)F)nc4)cc(C(F)(F)F)n3)c2)c1

HCID44185104

未命名化合物

PRODUCTS

生成物

结构：NS(=O)(=O)c1cccc(-c2cccc(-c3nc(-c4ccc(C(F)(F)F)nc4)cc(C(F)(F)F)n3)c2)c1

HCID24968983

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1d3741febb2c42e99dfd5bfeb5cff483
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

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[cH:16][c:17](-[c:21]3[n:22][c:23](-[c:31]4[cH:32][n:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]4)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[n:26]3)[cH:18][cH:19][cH:20]2)[cH:12][cH:13][cH:14]1.[Cl:48][CH2:49][Cl:50].[F:41][C:42]([F:43])([F:44])[C:45]([OH:46])=[O:47]>>[NH2:5][S:6](=[O:7])(=[O:8])[c:9]1[cH:10][c:11](-[c:15]2[cH:16][c:17](-[c:21]3[n:22][c:23](-[c:31]4[cH:32][n:33][c:34]([C:37]([F:38])([F:39])[F:40])[cH:35][cH:36]4)[cH:24][c:25]([C:27]([F:28])([F:29])[F:30])[n:26]3)[cH:18][cH:19][cH:20]2)[cH:12][cH:13][cH:14]1