HRID106545

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID166653

Hydride

H-

HCID14987323

未命名化合物

HCID21711756

未命名化合物

PRODUCTS

产物

HCID19792178

Methyl 2-butyl-1-[(2'-cyanobiphenyl-4-yl)methyl]benzimidazole-4-carboxylate

C27H25N3O2

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-10af0778b8964ebbb6e53111b7bc563f
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

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