HRID154178

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID66855738

N-[4-(1-Aminoethyl)-2,6-difluorophenyl]methanesulfonamide

C9H12F2N2O2S

结构：O=C(O)C=Cc1ccc(C(F)(F)F)cc1OCC1CCCCC1

HCID66856337

未命名化合物

PRODUCTS

生成物

结构：CC(NC(=O)C=Cc1ccc(C(F)(F)F)cc1OCC1CCCCC1)c1cc(F)c(NS(C)(=O)=O)c(F)c1

HCID66855466

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bfe1895c84674338b5d30d622061ce98
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

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