Methanol → 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

HRID 178325Notes

Reaction equation

HRID 178325 reaction equation
[CH3:16][O:17][CH:18]=[C:19]([C:20](=[O:21])[C:22]([F:23])([F:24])[F:25])[C:26]([O:27][CH3:28])=[O:29].[CH3:2][Si:3]([Cl:4])([CH3:5])[CH3:6].[CH3:30][NH:31][NH2:32].[CH3:59][OH:60].[CH3:7][N:8]1[CH2:9][CH2:10][N:11]([CH3:12])[C:13]1=[O:14].[F:33][CH:34]([c:35]1[n:36][n:37]([CH3:44])[cH:38][c:39]1[C:40](=[O:41])[O:42][CH3:43])[F:45].[F:46][CH:47]([F:48])[N:49]1[CH:50]([C:51]([O:52][CH3:53])=[O:54])[CH:55]=[CH:56][N:57]1[CH3:58].[I:15].[Mg:1]>>[F:33][CH:34]([c:35]1[n:36][n:37]([CH3:44])[cH:38][c:39]1[C:40](=[O:41])[OH:42])[F:45]

Participants

10

Reactant 9

HCID 887MethanolHCID 6061MethylhydrazineHCID 6397ChlorotrimethylsilaneHCID 66611,3-Dimethyl-2-imidazolidinoneHCID 24841Hydrogen iodideHCID 5462224MagnesiumHCID 44473215Methyl 3-(difluoromethyl)-1-methyl-1h-pyrazole-4-carboxylateHCID 66738668Methyl 2-difluoromethyl-1-methylpyrazole-3-carboxylateHCID 86640098Methyl 2-methoxymethylene-4,4,4-trifluoro-3-oxobutyrate

Product 1

HCID 189830083-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic acid

Sources & evidence

ORD record
ord-1780bb594369498b86ffbde79d62826a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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