HRID1208834

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

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-f8b5e33414c9487ba6d6267a3bc6ea57
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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