Acetate → 3-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[3,2-d]pyridazin-2(1H)-one

HRID 1575353Notes

Reaction equation

HRID 1575353 reaction equation
[C:31]([O-:32])(=[O:33])[CH3:34].[CH2:24]1[O:25][CH2:26][CH2:27][CH2:28]1.[F:1][c:2]1[c:3](-[c:9]2[c:10]3[c:11]([cH:12][n:13][n:14]2)[cH:15][c:16]([C:21]([OH:22])=[O:23])[c:17](=[O:20])[n:18]3[CH3:19])[cH:4][cH:5][c:6]([F:8])[cH:7]1.[Li+:35].[O:36]=[C:37]1[N:38]([Br:43])[C:39](=[O:40])[CH2:41][CH2:42]1.[OH2:29].[OH2:30].[OH2:44]>>[F:1][c:2]1[c:3](-[c:9]2[c:10]3[c:11]([cH:12][n:13][n:14]2)[cH:15][c:16]([Br:43])[c:17](=[O:20])[n:18]3[CH3:19])[cH:4][cH:5][c:6]([F:8])[cH:7]1

Participants

7

Reactant 6

HCID 175AcetateHCID 962Water3×HCID 8028TetrahydrofuranHCID 28486Lithium ionHCID 67184N-bromobutanimideHCID 469305368-(2,4-Difluorophenyl)-1-methyl-2-oxo-1,2-dihydropyrido[3,2-d]pyridazine-3-carboxylic acid

Product 1

HCID 469305373-bromo-8-(2,4-difluorophenyl)-1-methylpyrido[3,2-d]pyridazin-2(1H)-one

Sources & evidence

ORD record
ord-c32e7efdcc5942d6b31258c7a5e78cf4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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