HRID669313

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13475768

2-(4-Aminophenyl)-N-methylethane-1-sulfonamide

C9H14N2O2S

结构：CC(C)Nc1nc2cc(N(C)c3ccnc(Cl)n3)ccc2n1C

HCID59674144

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CNS(=O)(=O)CCc1ccc(Nc2nccc(N(C)c3ccc4c(c3)nc(NC(C)C)n4C)n2)cc1

HCID10128804

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f366b8113a344c789f8f2efc682b4c4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[CH3:24][NH:25][S:26](=[O:27])(=[O:28])[CH2:29][CH2:30][c:31]1[cH:32][cH:33][c:34]([NH2:37])[cH:35][cH:36]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6]([N:8]([c:9]2[cH:10][c:11]3[c:12]([n:13]([CH3:20])[c:14]([NH:16][CH:17]([CH3:18])[CH3:19])[n:15]3)[cH:21][cH:22]2)[CH3:23])[n:7]1>>[ClH:1].[c:2]1([NH:37][c:34]2[cH:33][cH:32][c:31]([CH2:30][CH2:29][S:26]([NH:25][CH3:24])(=[O:27])=[O:28])[cH:36][cH:35]2)[n:3][cH:4][cH:5][c:6]([N:8]([c:9]2[cH:10][c:11]3[c:12]([n:13]([CH3:20])[c:14]([NH:16][CH:17]([CH3:18])[CH3:19])[n:15]3)[cH:21][cH:22]2)[CH3:23])[n:7]1