HRID103232

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+

HCID139575

1H-Imidazole-2-carboxaldehyde, 1-methyl-

C5H6N2O

HCID498716

未命名化合物

HCID66941456

未命名化合物

PRODUCTS

产物

HCID11592205

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-b1a66bab21e54e729d10da6322565a0a
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:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][NH:16][CH2:17][c:18]2[nH:19][cH:20][cH:21][n:22]2)[cH:13][cH:14]1)[CH2:23][CH2:24][CH2:25][CH2:26][N:27]([CH2:28][CH2:29][CH3:30])[CH2:31][CH2:32][CH3:33])=[O:34].[C:35]([BH3-:36])#[N:37].[CH3:39][C:40](=[O:41])[OH:42].[CH3:43][n:44]1[c:45]([CH:49]=[O:50])[n:46][cH:47][cH:48]1.[CH3:51][OH:52].[Na+:38]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([N:7]([CH2:8][c:9]1[cH:10][cH:11][c:12]([CH2:15][N:16]([CH2:17][c:18]2[nH:19][cH:20][cH:21][n:22]2)[CH2:49][c:45]2[n:44]([CH3:43])[cH:48][cH:47][n:46]2)[cH:13][cH:14]1)[CH2:23][CH2:24][CH2:25][CH2:26][N:27]([CH2:28][CH2:29][CH3:30])[CH2:31][CH2:32][CH3:33])=[O:34]