HRID2324921

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：CCn1c(NCc2ccccc2)nc2cc(N(C)c3ccnc(Cl)n3)ccc21

HCID59674155

未命名化合物

PRODUCTS

生成物

HCID313

Hydrochloric Acid

ClH

结构：CCn1c(NCc2ccccc2)nc2cc(N(C)c3ccnc(Nc4ccc(CCS(=O)(=O)NC)cc4)n3)ccc21

HCID59674108

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3d0175b72504107aefcb4e0f1c982f0
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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