Ethanol → Des-4-methylenepiperidine Efinaconazole

HRID 140988Notes

Reaction equation

HRID 140988 reaction equation
[CH3:43][CH2:44][OH:45].[F:1][c:2]1[c:3]([C:9]([CH2:10][n:11]2[n:12][cH:13][n:14][cH:15]2)([CH:16]([CH3:17])[O:18][CH:19]2[CH2:20][CH2:21][CH2:22][CH2:23][O:24]2)[OH:25])[cH:4][c:5]([F:8])[cH:6][cH:7]1.[c:26]1([CH3:27])[cH:28][cH:29][c:30]([S:31]([O-:32])(=[O:33])=[O:34])[cH:35][cH:36]1.[nH+:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[F:1][c:2]1[c:3]([C:9]([CH2:10][n:11]2[n:12][cH:13][n:14][cH:15]2)([CH:16]([CH3:17])[OH:18])[OH:25])[cH:4][c:5]([F:8])[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 702EthanolHCID 85570p-ToluenesulfonateHCID 4989215PyridiniumHCID 183676862-(2,5-Difluorophenyl)-3-(oxan-2-yloxy)-1-(1,2,4-triazol-1-yl)butan-2-ol

Product 1

HCID 18367646Des-4-methylenepiperidine Efinaconazole

Sources & evidence

ORD record
ord-464c8d1bd9604bceb65a4dce746c57a8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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