HRID169855

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID66850721

未命名化合物

PRODUCTS

产物

HCID11396797

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-208c59e1834f4aaab8f2c15038e4e858
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

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