Acetone → 1-(4-fluoro-3-(hydroxy(2-methyl-5-phenyl-2H-1,2,4-triazol-3-yl)methyl)phenyl)ethanone

HRID 316061Notes

Reaction equation

HRID 316061 reaction equation
[CH3:28][C:29](=[O:30])[CH3:31].[F:1][c:2]1[c:3]([CH:14]([OH:15])[c:16]2[n:17]([CH3:27])[n:18][c:19](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[n:20]2)[cH:4][c:5]([C:8]2([CH3:13])[O:9][CH2:12][CH2:11][O:10]2)[cH:6][cH:7]1.[OH2:32]>>[F:1][c:2]1[c:3]([CH:14]([OH:15])[c:16]2[n:17]([CH3:27])[n:18][c:19](-[c:21]3[cH:22][cH:23][cH:24][cH:25][cH:26]3)[n:20]2)[cH:4][c:5]([C:8](=[O:9])[CH3:13])[cH:6][cH:7]1

Participants

4

Reactant 3

HCID 180AcetoneHCID 962WaterHCID 57803748(2-fluoro-5-(2-methyl-1,3-dioxolan-2-yl)phenyl)(2-methyl-5-phenyl-2H-1,2,4-triazol-3-yl)methanol

Product 1

HCID 578036451-(4-fluoro-3-(hydroxy(2-methyl-5-phenyl-2H-1,2,4-triazol-3-yl)methyl)phenyl)ethanone

Sources & evidence

ORD record
ord-a0230740d8834b9d9feb14e7c8fd3c49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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