HRID135912

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID756

Acetaldehyde, hydroxy-

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

Dimethylformamide

C3H7NO

HCID44159603

未命名化合物

PRODUCTS

产物

HCID59255376

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-0283c66ab6574a06b7cea758b0535b13
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应SMILES

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