Ethanol → 6-bromo-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-(oxetan-3-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

HRID 2148146Notes

Reaction equation

HRID 2148146 reaction equation
[Br:3][c:4]1[cH:5][c:6]([C:17]([O:19][CH2:18][CH3:20])=[O:21])[c:7]2[c:8]([n:9]1)[n:10]([CH:13]1[CH2:14][O:15][CH2:16]1)[n:11][cH:12]2.[CH3:34][CH2:35][OH:36].[CH3:37][CH2:38][O:39][C:40]([CH3:41])=[O:42].[NH2:22][CH2:23][c:24]1[c:25](=[O:32])[nH:26][c:27]([CH3:31])[cH:28][c:29]1[CH3:30].[Na+:2].[OH-:1].[OH2:33]>>[Br:3][c:4]1[cH:5][c:6]([C:17](=[O:19])[NH:22][CH2:23][c:24]2[c:25](=[O:32])[nH:26][c:27]([CH3:31])[cH:28][c:29]2[CH3:30])[c:7]2[c:8]([n:9]1)[n:10]([CH:13]1[CH2:14][O:15][CH2:16]1)[n:11][cH:12]2

Participants

8

Reactant 7

HCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 70638443-(Aminomethyl)-4,6-dimethyl-1,2-dihydropyridin-2-oneHCID 86703423ethyl 6-bromo-1-(oxetan-3-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylate

Product 1

HCID 867034246-bromo-N-((4,6-dimethyl-2-oxo-1,2-dihydropyridin-3-yl)methyl)-1-(oxetan-3-yl)-1H-pyrazolo[3,4-b]pyridine-4-carboxamide

Sources & evidence

ORD record
ord-8352a2172ebe453eb5eec325c06a97a4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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