HRID88351

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

HCID21097524

未命名化合物

HCID68779524

3-(2-Phenethyl-6-trifluoromethyl-pyridin-3-yl)-acrylic acid

C17H14F3NO2

PRODUCTS

产物

HCID68785166

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-7d356b7dd3ee48eeb462ab2781459cd9
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

[CH2:36]([CH2:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1)[c:44]1[n:45][c:46]([C:55]([F:56])([F:57])[F:58])[cH:47][cH:48][c:49]1[CH:50]=[CH:51][C:52](=[O:53])[OH:54].[CH3:19][O:20][c:21]1[n:22][c:23]([O:24][CH3:25])[n:26][c:27]([N+:28]2([CH3:29])[CH2:30][CH2:31][O:32][CH2:33][CH2:34]2)[n:35]1.[Cl-:18].[ClH:16].[NH2:1][CH2:2][c:3]1[cH:4][c:5]([F:15])[c:6]([NH:10][S:11](=[O:12])(=[O:13])[CH3:14])[c:7]([F:9])[cH:8]1.[OH2:17]>>[NH:1]([CH2:2][c:3]1[cH:4][c:5]([F:15])[c:6]([NH:10][S:11](=[O:12])(=[O:13])[CH3:14])[c:7]([F:9])[cH:8]1)[C:52]([CH:51]=[CH:50][c:49]1[c:44]([CH2:36][CH2:37][c:38]2[cH:39][cH:40][cH:41][cH:42][cH:43]2)[n:45][c:46]([C:55]([F:56])([F:57])[F:58])[cH:47][cH:48]1)=[O:53]