HRID101981

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：CCCCc1cc(C(F)(F)F)cc(CCCC)c1C=CC(=O)O

HCID66855578

未命名化合物

HCID66855738

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

C9H12F2N2O2S

PRODUCTS

生成物

结构：CCCCc1cc(C(F)(F)F)cc(CCCC)c1C=CC(=O)NC(C)c1cc(F)c(NS(C)(=O)=O)c(F)c1

HCID66855782

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-81f8fec556f44c2789c4b655d9dbc8ca
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

[CH2:18]([CH2:19][CH2:20][CH3:21])[c:22]1[c:23]([CH:36]=[CH:37][C:38](=[O:39])[OH:40])[c:24]([CH2:32][CH2:33][CH2:34][CH3:35])[cH:25][c:26]([C:28]([F:29])([F:30])[F:31])[cH:27]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:23]1[c:22]([CH2:18][CH2:19][CH2:20][CH3:21])[cH:27][c:26]([C:28]([F:29])([F:30])[F:31])[cH:25][c:24]1[CH2:32][CH2:33][CH2:34][CH3:35])=[O:39]