Potassium Cation → 2-(3-tert-Butyl-5-trifluoromethyl-pyrazol-1-yl)-1-[4-(4-fluoro-phenyl)-piperazin-1-yl]-ethanone

HRID 162206

Reaction equation

HRID 162206 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[n:8][nH:9]1.[C:42]([O:43][CH2:44][CH3:45])(=[O:46])[CH3:47].[CH3:48][CH2:49][CH2:50][CH2:51][CH2:52][CH3:53].[Cl:20][CH2:21][C:22](=[O:23])[N:24]1[CH2:25][CH2:26][N:27]([c:30]2[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]2)[CH2:28][CH2:29]1.[K+:14].[K+:15].[O-:16][C:17]([O-:18])=[O:19].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([C:10]([F:11])([F:12])[F:13])[n:8]([CH2:21][C:22](=[O:23])[N:24]2[CH2:25][CH2:26][N:27]([c:30]3[cH:31][cH:32][c:33]([F:36])[cH:34][cH:35]3)[CH2:28][CH2:29]2)[n:9]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 8058HexaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 18485111-(Chloroacetyl)-4-(4-fluorophenyl)piperazineHCID 178440980HCID 178440980, compound

Product 1

HCID 210710522-(3-tert-Butyl-5-trifluoromethyl-pyrazol-1-yl)-1-[4-(4-fluoro-phenyl)-piperazin-1-yl]-ethanone

Sources & evidence

ORD record
ord-bb6a1c4faad449ac801f905903095ee5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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