Potassium Cation → 1-(4-Chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanol

HRID 193851Notes

Reaction equation

HRID 193851 reaction equation
[CH3:15][c:16]1[n:17][nH:18][cH:19][cH:20]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.[Cl:1][c:2]1[cH:3][c:4]([I:14])[c:5]([CH:8]([C:9]([F:10])([F:11])[F:12])[OH:13])[cH:6][cH:7]1.[Cu:43][I:44].[K+:21].[K+:22].[O-:23][C:24]([O-:25])=[O:26]>>[Cl:1][c:2]1[cH:3][c:4](-[n:18]2[n:17][c:16]([CH3:15])[cH:20][cH:19]2)[c:5]([CH:8]([C:9]([F:10])([F:11])[F:12])[OH:13])[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 667436381-(4-Chloro-2-iodo-phenyl)-2,2,2-trifluoro-ethanolHCID 178428694HCID 178428694, compound

Product 1

HCID 252124151-(4-Chloro-2-(3-methyl-1H-pyrazol-1-yl)phenyl)-2,2,2-trifluoroethanol

Sources & evidence

ORD record
ord-46b6e532429847239b363c309f673045
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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