Acetone → 7-Methoxy-1-(2-pyridyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydroindazole

HRID 1126739

Reaction equation

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

Participants

Reactant 5

HCID 180Acetone

HCID 887Methanol

HCID 943Nitrate

HCID 104755Silver cation

HCID 40739867-Bromo-3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one

Product 1

HCID 98606407-Methoxy-1-(2-pyridyl)-3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydroindazole

Sources & evidence

ORD record: ord-213b7941cebe45d09f91302dff6455cb
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Linked notes

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