Potassium Cation → 1-[2-(3,5-Dimethyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethanol

HRID 209331Notes

Reaction equation

HRID 209331 reaction equation
[CH3:14][c:15]1[n:16][nH:17][c:18]([CH3:20])[cH:19]1.[CH3:27][NH:28][CH:29]1[CH2:30][CH2:31][CH2:32][CH2:33][CH:34]1[NH:35][CH3:36].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[CH3:45][c:46]1[cH:47][cH:48][cH:49][cH:50][cH:51]1.[Cu:43][I:44].[F:1][C:2]([CH:3]([OH:4])[c:5]1[c:6]([I:11])[cH:7][cH:8][cH:9][cH:10]1)([F:12])[F:13].[K+:21].[K+:22].[O-:23][C:24]([O-:25])=[O:26]>>[F:1][C:2]([CH:3]([OH:4])[c:5]1[c:6](-[n:17]2[n:16][c:15]([CH3:14])[cH:19][c:18]2[CH3:20])[cH:7][cH:8][cH:9][cH:10]1)([F:12])[F:13]

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 1140TolueneHCID 62103,5-DimethylpyrazoleHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 667436982-Iodo-alpha-(trifluoromethyl)benzyl Alcohol

Product 1

HCID 667426631-[2-(3,5-Dimethyl-pyrazol-1-yl)-phenyl]-2,2,2-trifluoro-ethanol

Sources & evidence

ORD record
ord-7bac2e54fb3c4ac4b67a64c2d775c941
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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