HRID1143143

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

结构：COC1=C(OC)C(=O)C(Cc2ccc(OC(C)=O)c(C(=O)Nc3cccnc3N(C)C)c2)=C(C)C1=O

HCID22054319

未命名化合物

PRODUCTS

生成物

结构：COC1=C(OC)C(=O)C(Cc2ccc(O)c(C(=O)Nc3cccnc3N(C)C)c2)=C(C)C1=O

HCID22054351

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-334e123759ff4e079d7d043b39d6fbb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:1][N:2]([c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[NH:9][C:10]([c:11]1[c:12]([O:31][C:32](=[O:33])[CH3:34])[cH:13][cH:14][c:15]([CH2:17][C:18]2=[C:23]([CH3:24])[C:22](=[O:25])[C:21]([O:26][CH3:27])=[C:20]([O:28][CH3:29])[C:19]2=[O:30])[cH:16]1)=[O:35])[CH3:36].[CH3:42][OH:43].[Na+:37].[OH2:44].[OH:38][C:39](=[O:40])[O-:41]>>[CH3:1][N:2]([c:3]1[n:4][cH:5][cH:6][cH:7][c:8]1[NH:9][C:10]([c:11]1[c:12]([OH:31])[cH:13][cH:14][c:15]([CH2:17][C:18]2=[C:23]([CH3:24])[C:22](=[O:25])[C:21]([O:26][CH3:27])=[C:20]([O:28][CH3:29])[C:19]2=[O:30])[cH:16]1)=[O:35])[CH3:36]