HRID202320

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+

HCID573419

1-Methyl-1H-imidazole-4-carbaldehyde

C5H6N2O

HCID2724942

未命名化合物

HCID77148488

未命名化合物

PRODUCTS

产物

HCID76462338

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6693b8233f8c47d3bda70cbf4690e545
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:39]([O:40][BH-:41]([O:42][C:43](=[O:44])[CH3:45])[O:46][C:47](=[O:48])[CH3:49])(=[O:50])[CH3:51].[C:53]([OH:54])(=[O:55])[CH3:56].[CH3:31][n:32]1[cH:33][n:34][c:35]([CH:37]=[O:38])[cH:36]1.[CH3:57][OH:58].[F:1][C:2]([C:3]([CH3:4])([OH:5])[c:6]1[cH:7][cH:8][c:9]([N:12]2[CH:13]([CH2:26][NH:27][CH3:28])[CH2:14][N:15]([S:18](=[O:19])(=[O:20])[c:21]3[s:22][cH:23][cH:24][cH:25]3)[CH2:16][CH2:17]2)[cH:10][cH:11]1)([F:29])[F:30].[Na+:52]>>[F:1][C:2]([C:3]([CH3:4])([OH:5])[c:6]1[cH:7][cH:8][c:9]([N:12]2[CH:13]([CH2:26][N:27]([CH3:28])[CH2:37][c:35]3[n:34][cH:33][n:32]([CH3:31])[cH:36]3)[CH2:14][N:15]([S:18](=[O:19])(=[O:20])[c:21]3[s:22][cH:23][cH:24][cH:25]3)[CH2:16][CH2:17]2)[cH:10][cH:11]1)([F:29])[F:30]