Hydrochloric Acid → 5-{[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester

HRID 120772Notes

Reaction equation

HRID 120772 reaction equation
[BH4-:34].[C:28](=[O:29])([O-:30])[O-:31].[CH3:17][O:18][C:19](=[O:20])[c:21]1[n:22]([CH3:27])[n:23][c:24]([NH2:26])[cH:25]1.[CH3:37][OH:38].[ClH:16].[ClH:36].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH3:15])[c:12]2[CH:13]=[O:14])[cH:6][cH:7]1.[K+:32].[K+:33].[Na+:35]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][o:10][c:11]([CH3:15])[c:12]2[CH2:13][NH:26][c:24]2[n:23][n:22]([CH3:27])[c:21]([C:19]([O:18][CH3:17])=[O:20])[cH:25]2)[cH:6][cH:7]1

Participants

9

Reactant 8

HCID 313Hydrochloric Acid2×HCID 813Potassium Cation2×HCID 887MethanolHCID 923Sodium ionHCID 19660Carbonate IonHCID 28123BorohydrideHCID 13248993methyl 3-amino-1-methyl-1H-pyrazole-5-carboxylateHCID 167282913-(4-Fluorophenyl)-5-methylisoxazole-4-carboxaldehyde

Product 1

HCID 666437125-{[3-(4-fluoro-phenyl)-5-methyl-isoxazol-4-ylmethyl]-amino}-2-methyl-2H-pyrazole-3-carboxylic acid methyl ester

Sources & evidence

ORD record
ord-cd2700a290e6490da937dd1ad08a12ae
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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