HRID1540626

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)c1ccc(CC(=O)NC(CC(C)C)c2ccccc2N2CCCCC2)cc1OCC

HCID13729227

未命名化合物

PRODUCTS

生成物

结构：CCOc1cc(CC(=O)NC(CC(C)C)c2ccccc2N2CCCCC2)ccc1C(=O)O

HCID4547

2-Ethoxy-4-[2-({3-methyl-1-[2-(piperidin-1-yl)phenyl]butyl}amino)-2-oxoethyl]benzoic acid

C27H36N2O4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa8a27cc5f8a46f896f4303b15bc4233
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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