Carbonate Ion → 2-[6-(5-Bromo-1-methyl-2-oxo-1,2-dihydro-pyridin-3-ylamino)-pyridin-3-yl]-2-methyl-propionic acid methyl ester

HRID 110531Notes

Reaction equation

HRID 110531 reaction equation
[Br:15][c:16]1[c:17](=[O:24])[n:18]([CH3:23])[cH:19][c:20]([Br:22])[cH:21]1.[C:25](=[O:26])([O-:27])[O-:28].[CH3:1][O:2][C:3]([C:4]([CH3:5])([CH3:6])[c:7]1[cH:8][n:9][c:10]([NH2:13])[cH:11][cH:12]1)=[O:14].[Cs+:29].[Cs+:30]>>[CH3:1][O:2][C:3]([C:4]([CH3:5])([CH3:6])[c:7]1[cH:8][n:9][c:10]([NH:13][c:16]2[c:17](=[O:24])[n:18]([CH3:23])[cH:19][c:20]([Br:22])[cH:21]2)[cH:11][cH:12]1)=[O:14]

Participants

5

Reactant 4

HCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 36143503,5-Dibromo-1-methylpyridin-2(1H)-oneHCID 21998700Methyl 2-(6-aminopyridin-3-yl)-2-methylpropanoate

Product 1

HCID 594738062-[6-(5-Bromo-1-methyl-2-oxo-1,2-dihydro-pyridin-3-ylamino)-pyridin-3-yl]-2-methyl-propionic acid methyl ester

Sources & evidence

ORD record
ord-9c43876eced0440fb4dbb767f79a5979
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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