Acetone → Dimethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate

HRID 120226

Reaction equation

HRID 120226 reaction equation
[C:14](=[O:15])([O-:16])[O-:17].[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][nH:7][c:8]([C:10](=[O:11])[O:12][CH3:13])[cH:9]1.[CH3:20][I:21].[CH3:22][C:23](=[O:24])[CH3:25].[K+:18].[K+:19]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6]([CH3:14])[n:7][c:8]([C:10](=[O:11])[O:12][CH3:13])[cH:9]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 6328Methyl iodideHCID 19660Carbonate IonHCID 14844913,5-dimethyl 1H-pyrazole-3,5-dicarboxylate

Product 1

HCID 12563617Dimethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate

Sources & evidence

ORD record
ord-a67c82e546f84213984dd59499d9183e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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