HRID204206

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+

2 次

HCID7656

Dibenzylamine

C14H15N

HCID2724942

未命名化合物

HCID58010012

Cyclopentanecarboxylic acid, 2-ethyl-4-oxo-, ethyl ester

C10H16O3

PRODUCTS

生成物

结构：CCOC(=O)C1CC(N(Cc2ccccc2)Cc2ccccc2)CC1CC

HCID58009964

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e96324beddf14b27b46bd83a8e897157
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:14]([OH:15])(=[O:16])[CH3:17].[C:33]([O:34][BH-:35]([O:36][C:37](=[O:38])[CH3:39])[O:40][C:41](=[O:42])[CH3:43])(=[O:44])[CH3:45].[CH2:18]([c:19]1[cH:20][cH:21][cH:22][cH:23][cH:24]1)[NH:25][CH2:26][c:27]1[cH:28][cH:29][cH:30][cH:31][cH:32]1.[CH2:1]([CH3:2])[CH:3]1[CH:4]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH2:5][C:6](=[O:8])[CH2:7]1.[Na+:46].[Na+:51].[O-:47][C:48]([OH:49])=[O:50]>>[CH2:1]([CH3:2])[CH:3]1[CH:4]([C:9](=[O:10])[O:11][CH2:12][CH3:13])[CH2:5][CH:6]([N:25]([CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:26][c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[CH2:7]1