Acetate → 5-(4-Acetamidophenyl)-3-methyl-2(1H)-pyrazinone

Reaction equation

[BrH:1].[CH3:17][C:18](=[O:19])[O:20][C:21](=[O:22])[CH3:23].[CH3:25][C:26](=[O:27])[O-:28].[NH2:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][c:11]([CH3:16])[c:12](=[O:15])[nH:13][cH:14]2)[cH:7][cH:8]1.[Na+:24].[OH2:29]>>[NH:2]([c:3]1[cH:4][cH:5][c:6](-[c:9]2[n:10][c:11]([CH3:16])[c:12](=[O:15])[nH:13][cH:14]2)[cH:7][cH:8]1)[C:18]([CH3:17])=[O:19]

Participants

Reactant 6

HCID 175Acetate

HCID 260Hydrogen Bromide

HCID 923Sodium Ion

HCID 962Water

HCID 7918Acetic Anhydride

HCID 138535625-(4-Aminophenyl)-3-methylpyrazin-2(1H)-one

Product 1

HCID 138535655-(4-Acetamidophenyl)-3-methyl-2(1H)-pyrazinone

Sources & evidence

ORD record: ord-15d0b0bfd2574b6599163d3aaa6ba33e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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