HRID98666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID313

Hydrochloric Acid

ClH

HCID962

Water

H2O

HCID2734060

未命名化合物

HCID66855738

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

C9H12F2N2O2S

HCID68780357

未命名化合物

PRODUCTS

生成物

结构：CCNc1nc(C(F)(F)F)ccc1C=CC(=O)NC(C)c1cc(F)c(NS(C)(=O)=O)c(F)c1

HCID68787353

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-614a57801fe44ecb844cdaa5f150557e
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

[CH2:37]([CH3:38])[NH:39][c:40]1[n:41][c:42]([C:51]([F:52])([F:53])[F:54])[cH:43][cH:44][c:45]1[CH:46]=[CH:47][C:48](=[O:49])[OH:50].[CH3:20][O:21][c:22]1[n:23][c:24]([O:25][CH3:26])[n:27][c:28]([N+:29]2([CH3:30])[CH2:31][CH2:32][O:33][CH2:34][CH2:35]2)[n:36]1.[Cl-:19].[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.[OH2:18]>>[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:48]([CH:47]=[CH:46][c:45]1[c:40]([NH:39][CH2:37][CH3:38])[n:41][c:42]([C:51]([F:52])([F:53])[F:54])[cH:43][cH:44]1)=[O:49]