Acetate → 6-bromo-4-methyl-2-o-tolyl-2H-[1,2,4]triazine-3,5-dione

Reaction equation

[Br:1][c:2]1[c:3](=[O:10])[n:4]([CH3:9])[c:5](=[O:8])[nH:6][n:7]1.[C:30]([O-:31])(=[O:32])[CH3:33].[C:35]([O-:36])(=[O:37])[CH3:38].[Cl:27][CH2:28][Cl:29].[Cu+2:34].[c:17]1([CH3:26])[c:18]([B:23]([OH:24])[OH:25])[cH:19][cH:20][cH:21][cH:22]1.[cH:11]1[cH:12][cH:13][n:14][cH:15][cH:16]1>>[Br:1][c:2]1[c:3](=[O:10])[n:4]([CH3:9])[c:5](=[O:8])[n:6](-[c:18]2[c:17]([CH3:26])[cH:22][cH:21][cH:20][cH:19]2)[n:7]1

Participants

Reactant 6

HCID 175Acetate2×

HCID 1049Pyridine

HCID 6344Dichloromethane

HCID 27099Cupric cation

HCID 2605646-bromo-4-methyl-1,2,4-triazine-3,5(2h,4h)-dione

HCID 27332672-Methylphenyl boronic acid

Product 1

HCID 582697586-bromo-4-methyl-2-o-tolyl-2H-[1,2,4]triazine-3,5-dione

Sources & evidence

ORD record: ord-14e50713b7914251a5d19d0f17ea618d
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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