HRID832698

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID962

Water

H2O

HCID7170

Ethyl benzoylacetate

C11H12O3

HCID22344593

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)CC(=NOCc1ccc(OCc2nc(-c3ccccc3)oc2C)cc1)c1ccccc1

HCID85343088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e1ca641b042e4d968bf0b14f1f5f235f
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[C:24]([c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1)(=[O:31])[CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37].[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([CH2:19][O:20][NH2:21])[cH:22][cH:23]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1.[CH3:38][C:39](=[O:40])[OH:41].[CH3:43][C:44](=[O:45])[O-:46].[CH3:48][CH2:49][OH:50].[Na+:42].[OH2:47]>>[CH3:1][c:2]1[c:3]([CH2:13][O:14][c:15]2[cH:16][cH:17][c:18]([CH2:19][O:20][N:21]=[C:24]([c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[CH2:32][C:33](=[O:34])[O:35][CH2:36][CH3:37])[cH:22][cH:23]2)[n:4][c:5](-[c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)[o:6]1