Acetic Acid → 6-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine

HRID 197484Notes

Reaction equation

HRID 197484 reaction equation
[C:32]([OH:33])(=[O:34])[CH3:35].[ClH:37].[N:26]([O-:27])=[O:28].[NH2:1][c:2]1[n:3][nH:4][c:5]2[n:6][c:7](-[c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[c:8](-[c:11]3[n:12][c:13]([S:17][CH3:18])[n:14][cH:15][cH:16]3)[cH:9][c:10]12.[Na+:29].[Na+:31].[OH-:30].[OH2:36]>>[cH:2]1[n:3][nH:4][c:5]2[n:6][c:7](-[c:19]3[cH:20][cH:21][c:22]([F:25])[cH:23][cH:24]3)[c:8](-[c:11]3[n:12][c:13]([S:17][CH3:18])[n:14][cH:15][cH:16]3)[cH:9][c:10]12

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 923Sodium ion2×HCID 946NitriteHCID 961HydroxideHCID 962WaterHCID 178503413HCID 178503413, compound

Product 1

HCID 670146776-(4-fluorophenyl)-5-(2-methylsulfanylpyrimidin-4-yl)-1H-pyrazolo[3,4-b]pyridine

Sources & evidence

ORD record
ord-d588aa09ca404df3b20e8dd9a9b65945
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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