Acetate → Acetic acid 2-[5-(2,2-dimethylpropionylamino)-pyrazin-2-yl]-2-oxo-ethyl ester

Reaction equation

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

Participants

Reactant 7

HCID 175Acetate

HCID 176Acetic Acid

HCID 769Bicarbonate Ion

HCID 923Sodium Ion2×

HCID 6228Dimethylformamide

HCID 8857Ethyl Acetate

HCID 59336723N-[5-(2-bromo-acetyl)-pyrazin-2-yl]-2,2-dimethyl-propionamide

Product 1

Sources & evidence

ORD record: ord-4512ee11394e42a78297d23beb2d511e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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