Ethanol → Fexofenadine

HRID 1208834Notes

Reaction equation

HRID 1208834 reaction equation
[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

Participants

5

Reactant 4

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 9849889Ethyl Fexofenadine

Product 1

HCID 3348Fexofenadine

Sources & evidence

ORD record
ord-f8b5e33414c9487ba6d6267a3bc6ea57
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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