Acetate → 7-Bromo-4-(N-hydroxy-imino)-1-(2-pyridyl)-3,6,6-trimethyl-4,5,6,7-tetrahydroindazole

HRID 213270

Reaction equation

HRID 213270 reaction equation
[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.[CH2:29]1[O:30][CH2:31][CH2:32][O:33][CH2:34]1.[CH3:25][C:26](=[O:27])[O-:28].[ClH:21].[NH2:22][OH:23].[Na+:24]>>[Br:1][CH:2]1[C:3]([CH3:19])([CH3:20])[CH2:4][C:5](=[N:22][OH:23])[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

7

Reactant 6

HCID 175AcetateHCID 313Hydrochloric AcidHCID 787HydroxylamineHCID 923Sodium ionHCID 312751,4-DioxaneHCID 40739867-Bromo-3,6,6-trimethyl-1-pyridin-2-yl-5,7-dihydroindazol-4-one

Product 1

HCID 571058077-Bromo-4-(N-hydroxy-imino)-1-(2-pyridyl)-3,6,6-trimethyl-4,5,6,7-tetrahydroindazole

Sources & evidence

ORD record
ord-9f9e2f4c7a20429bace16b52f2f0de83
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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