Potassium Cation → 1-Ethyl-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-1H-pyrazole

HRID 1120952Notes

Reaction equation

HRID 1120952 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH2:27]([CH3:28])[I:29].[CH3:36][N:37]([CH3:38])[CH:39]=[O:40].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]3)[n:10][nH:11][c:12]2[C:13]([F:14])([F:15])[F:16])[cH:6][cH:7]1.[K+:34].[K+:35]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9](-[c:17]3[cH:18][cH:19][c:20]([S:23](=[O:24])(=[O:25])[CH3:26])[cH:21][cH:22]3)[n:10][n:11]([CH2:27][CH3:28])[c:12]2[C:13]([F:14])([F:15])[F:16])[cH:6][cH:7]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 6340IodoethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 153802224-(4-Fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-1H-pyrazole

Product 1

HCID 98445471-Ethyl-4-(4-fluoro-phenyl)-3-(4-methanesulfonyl-phenyl)-5-trifluoromethyl-1H-pyrazole

Sources & evidence

ORD record
ord-2c88201e3f454c14b6f56a1ca94da720
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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