HRID1113423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID887

Methanol

CH4O

HCID923

Sodium ion

Na+

HCID961

Hydroxide

HO-

结构：CCOC(=O)C(C)(C)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

HCID9849889

Ethyl Fexofenadine

C34H43NO4

PRODUCTS

生成物

结构：CC(C)(C(=O)O)c1ccc(C(O)CCCN2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1

HCID3348

Fexofenadine

C32H39NO4

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-52d5e5406b07474e89bd759136631e6f
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

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