Acetone → 3-(4-Benzyloxy-2-chloro-phenyl)-1,1,1-trifluoro-2-(2-methyl-pyridin-4-yl)-butan-2-ol

HRID 1574966Notes

Reaction equation

HRID 1574966 reaction equation
[C:3](=[O:4])([O-:5])[O-:6].[CH3:40][C:41](=[O:42])[CH3:43].[Cl:17][c:18]1[cH:19][c:20]([OH:39])[cH:21][cH:22][c:23]1[CH:24]([C:25]([C:26]([F:27])([F:28])[F:29])([c:30]1[cH:31][c:32]([CH3:36])[n:33][cH:34][cH:35]1)[OH:37])[CH3:38].[Cl:9][CH2:10][c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1.[I-:2].[K+:1].[K+:7].[K+:8]>>[CH2:10]([c:11]1[cH:12][cH:13][cH:14][cH:15][cH:16]1)[O:39][c:20]1[cH:19][c:18]([Cl:17])[c:23]([CH:24]([C:25]([C:26]([F:27])([F:28])[F:29])([c:30]2[cH:31][c:32]([CH3:36])[n:33][cH:34][cH:35]2)[OH:37])[CH3:38])[cH:22][cH:21]1

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation3×HCID 7503Benzyl ChlorideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 252541463-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(2-methyl-pyridin-4-yl)-propyl]-phenol

Product 1

HCID 252541473-(4-Benzyloxy-2-chloro-phenyl)-1,1,1-trifluoro-2-(2-methyl-pyridin-4-yl)-butan-2-ol

Sources & evidence

ORD record
ord-5551100712064e97b4a231a777bafb2e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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