HRID312474

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：CN(c1ccc2c(c1)nc(NCCc1ccccc1)n2C)c1ccnc(Cl)n1

HCID59674177

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(NCCc3ccccc3)n4C)n2)cc1

HCID10290034

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fb6afa4d2a69432e835a779247a6c40c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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