HRID157940

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(NCc1ccc(F)cc1)n2C)c1ccnc(Cl)n1

HCID59674181

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(NCc3ccc(F)cc3)n4C)n2)cc1

HCID10196912

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c50d1f2c013240b1a27b14dc46ce43bf
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

[CH3:29][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][c:18]4[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]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][c:18]4[cH:19][cH:20][c:21]([F:24])[cH:22][cH:23]4)[n:15]3)[cH:26][cH:27]2)[CH3:28])[n:7]1