Acetone → N-(3-(1,7-dimethyl-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-4-methylphenylcarbamothioyl)isobutyramide

HRID 1208075Notes

Reaction equation

HRID 1208075 reaction equation
[C:1]([CH:2]([CH3:3])[CH3:4])(=[O:5])[Cl:6].[CH3:32][C:33](=[O:34])[CH3:35].[N-:7]=[C:8]=[S:9].[NH2:11][c:12]1[cH:13][cH:14][c:15]([CH3:31])[c:16](-[c:18]2[c:19](=[O:30])[n:20]([CH3:29])[c:21]3[cH:22][c:23]([CH3:28])[n:24][cH:25][c:26]3[cH:27]2)[cH:17]1.[NH4+:10]>>[C:1]([CH:2]([CH3:3])[CH3:4])(=[O:5])[NH:7][C:8](=[S:9])[NH:11][c:12]1[cH:13][cH:14][c:15]([CH3:31])[c:16](-[c:18]2[c:19](=[O:30])[n:20]([CH3:29])[c:21]3[cH:22][c:23]([CH3:28])[n:24][cH:25][c:26]3[cH:27]2)[cH:17]1

Participants

6

Reactant 5

HCID 180AcetoneHCID 223AmmoniumHCID 62325Isobutyryl chlorideHCID 592123103-(5-amino-2-methylphenyl)-1,7-dimethyl-1,6-naphthyridin-2(1H)-oneHCID 178418790HCID 178418790, compound

Product 1

HCID 58369052N-(3-(1,7-dimethyl-2-oxo-1,2-dihydro-1,6-naphthyridin-3-yl)-4-methylphenylcarbamothioyl)isobutyramide

Sources & evidence

ORD record
ord-3b782ae8d89a4777b17644b145f132b7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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