HRID92329

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID962

Water

H2O

2 次

结构：CCCCCCCCCCCCCOc1ccc(CNc2ccc(C(=O)OCC)cc2)cc1

HCID13079677

Ethyl 4-({[4-(tridecyloxy)phenyl]methyl}amino)benzoate

C29H43NO3

PRODUCTS

生成物

结构：CCCCCCCCCCCCCOc1ccc(CNc2ccc(C(=O)O)cc2)cc1

HCID13079676

4-({[4-(Tridecyloxy)phenyl]methyl}amino)benzoic acid

C27H39NO3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-bd5ea73e1d574381b9b909db3745c91e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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