HRID157637

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID6344

Dichloromethane

CH2Cl2

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID81531

Diisopropylethylamine

C8H19N

结构：CNC(=O)c1c2cc(C3CC3)c(N)cc2nn1-c1ccc(Br)cc1

HCID67512724

未命名化合物

PRODUCTS

生成物

结构：CNC(=O)c1c2cc(C3CC3)c(NS(C)(=O)=O)cc2nn1-c1ccc(Br)cc1

HCID56962687

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-153da1298bda43c58d5cf8577b414eef
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

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