HRID1562905

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID813

Potassium cation

K+

HCID887

Methanol

CH4O

HCID961

Hydroxide

HO-

HCID1049

Pyridine

C5H5N

HCID31297

Methanesulfonyl chloride

CH3ClO2S

结构：CS(=O)(=O)Nc1ccc(-c2csc(N)n2)cc1Sc1ccc(F)cc1F

HCID10024740

未命名化合物

PRODUCTS

生成物

结构：CS(=O)(=O)Nc1nc(-c2ccc(NS(C)(=O)=O)c(Sc3ccc(F)cc3F)c2)cs1

HCID10435727

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b7c8a4b82b4142a89959caa054adf110
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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