HRID2126092

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID8071

未命名化合物

HCID92342

Pyridine, 2-chloro-5-(trifluoromethyl)-

C6H3ClF3N

HCID166653

Hydride

H-

HCID21463672

3-(2-chloro-6-fluorophenyl)-5-(3-chloro 4-hydroxymethylphenyl)-1-methyl-1H-1,2,4-triazole

C16H12Cl2FN3O

PRODUCTS

产物

HCID21463668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2f4c0c62cfca438298a32981d708ec21
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应SMILES

[CH3:38][O:39][CH2:40][CH2:41][O:42][CH3:43].[Cl:26][c:27]1[n:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]1.[Cl:3][c:4]1[c:5](-[c:11]2[n:12][n:13]([CH3:25])[c:14](-[c:16]3[cH:17][c:18]([Cl:24])[c:19]([CH2:22][OH:23])[cH:20][cH:21]3)[n:15]2)[c:6]([F:10])[cH:7][cH:8][cH:9]1.[H-:1].[Na+:2].[OH2:37]>>[Cl:3][c:4]1[c:5](-[c:11]2[n:12][n:13]([CH3:25])[c:14](-[c:16]3[cH:17][c:18]([Cl:24])[c:19]([CH2:22][O:23][c:27]4[n:28][cH:29][c:30]([C:33]([F:34])([F:35])[F:36])[cH:31][cH:32]4)[cH:20][cH:21]3)[n:15]2)[c:6]([F:10])[cH:7][cH:8][cH:9]1