HRID125279

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID498716

未命名化合物

HCID2774574

3-Fluoro-4-methylbenzaldehyde

C8H7FO

HCID59397988

未命名化合物

PRODUCTS

产物

HCID15985576

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d2dc01469d9d4c06bfdbe0a7d4955693
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:39]([BH3-:40])#[N:41].[CH3:1][OH:2].[CH3:43][C:44](=[O:45])[OH:46].[F:29][c:30]1[cH:31][c:32]([CH:33]=[O:34])[cH:35][cH:36][c:37]1[CH3:38].[NH2:3][CH:4]1[CH2:5][CH2:6][N:7]([CH2:10][CH2:11][n:12]2[c:13](=[O:28])[cH:14][c:15]([C:24](=[O:25])[NH:26][CH3:27])[c:16]3[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][c:21]23)[CH2:8][CH2:9]1.[Na+:42]>>[NH:3]([CH:4]1[CH2:5][CH2:6][N:7]([CH2:10][CH2:11][n:12]2[c:13](=[O:28])[cH:14][c:15]([C:24](=[O:25])[NH:26][CH3:27])[c:16]3[cH:17][cH:18][c:19]([O:22][CH3:23])[cH:20][c:21]23)[CH2:8][CH2:9]1)[CH2:33][c:32]1[cH:31][c:30]([F:29])[c:37]([CH3:38])[cH:36][cH:35]1