Hydrochloric Acid → Fexofenadine

HRID 2138175Notes

Reaction equation

HRID 2138175 reaction equation
[BH4-:1].[CH3:44][CH2:45][OH:46].[ClH:5].[Na+:2].[Na+:4].[OH-:3].[OH2:43].[OH:6][C:7]([CH:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][C:17](=[O:18])[c:19]2[cH:20][cH:21][c:22]([C:25]([C:26](=[O:27])[OH:28])([CH3:29])[CH3:30])[cH:23][cH:24]2)[CH2:12][CH2:13]1)([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[OH:6][C:7]([CH:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][CH:17]([OH:18])[c:19]2[cH:20][cH:21][c:22]([C:25]([C:26](=[O:27])[OH:28])([CH3:29])[CH3:30])[cH:23][cH:24]2)[CH2:12][CH2:13]1)([c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1)[c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 702EthanolHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 28123BorohydrideHCID 99356992-(4-(4-(4-(Hydroxydiphenylmethyl)piperidin-1-yl)butanoyl)phenyl)-2-methylpropanoic acid

Product 1

HCID 3348Fexofenadine

Sources & evidence

ORD record
ord-967d514aea2f4277952ec8a5d7a7fa98
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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