Hydrochloric Acid → 5-bromo-6-(2-methyl-2H-[1,2,4]triazol-3-ylmethoxy)-1-phenyl-1H-pyrazolo[3,4-b]pyridine

Reaction equation

[Br:1][c:2]1[cH:3][c:4]2[c:5]([nH:6][c:7]1=[O:8])[n:9](-[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[n:10][cH:11]2.[C:18](=[O:19])([O-:20])[O-:21].[Cl:25][CH2:26][c:27]1[n:28]([CH3:32])[n:29][cH:30][n:31]1.[ClH:24].[Cs+:22].[Cs+:23].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:6][c:7]1[O:8][CH2:26][c:27]1[n:28]([CH3:32])[n:29][cH:30][n:31]1)[n:9](-[c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[n:10][cH:11]2

Participants

Reactant 6

HCID 313Hydrochloric Acid

HCID 6228Dimethylformamide

HCID 19660Carbonate Ion

HCID 104967Cesium cation2×

HCID 104192195-(Chloromethyl)-1-methyl-1H-1,2,4-triazole

HCID 1358542805-Bromo-1-phenyl-1H-pyrazolo[3,4-b]pyridin-6(7H)-one

Product 1

Sources & evidence

ORD record: ord-356a7fb291824916b7dfb31ae97e4454
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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