HRID98517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID2760997

N-[4-(Aminomethyl)phenyl]methanesulfonamide

C8H12N2O2S

HCID59448200

未命名化合物

HCID68780605

未命名化合物

PRODUCTS

生成物

结构：CCCc1nc(C(F)(F)F)ccc1C=CC(=O)NCc1ccc(NS(C)(=O)=O)cc1Cl

HCID68780467

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9bbcd98cfbb8480dbca2714d1488c051
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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