Acetic Acid → Fexofenadine

HRID 1113423Notes

Reaction equation

HRID 1113423 reaction equation
[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

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 9849889Ethyl Fexofenadine

Product 1

HCID 3348Fexofenadine

Sources & evidence

ORD record
ord-52d5e5406b07474e89bd759136631e6f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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