Acetate → Tert-butyl 3-(3,3-dimethyl-4-oxo-2,5-dihydropyrido[3,2-b][1,4]oxazepin-8-yl)prop-2-enoate

HRID 1553156Notes

Reaction equation

HRID 1553156 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:10]([n:11][cH:12]1)[NH:9][C:8](=[O:13])[C:7]([CH3:14])([CH3:15])[CH2:6][O:5]2.[C:16]([CH:17]=[CH2:18])(=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24].[CH:25]([N:26]([CH2:27][CH3:28])[CH:29]([CH3:30])[CH3:31])([CH3:32])[CH3:33].[O-:40][C:41]([CH3:42])=[O:43].[O-:44][C:45]([CH3:46])=[O:47].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[Pd+2:39]>>[c:2]1([CH:18]=[CH:17][C:16](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[cH:3][c:4]2[c:10]([n:11][cH:12]1)[NH:9][C:8](=[O:13])[C:7]([CH3:14])([CH3:15])[CH2:6][O:5]2

Participants

7

Reactant 6

HCID 175Acetate2×HCID 6228DimethylformamideHCID 15458tert-Butyl acrylateHCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 593328468-bromo-3,3-dimethyl-2,3-dihydropyrido[3,2-b][1,4]oxazepin-4(5H)-one

Product 1

HCID 68414578Tert-butyl 3-(3,3-dimethyl-4-oxo-2,5-dihydropyrido[3,2-b][1,4]oxazepin-8-yl)prop-2-enoate

Sources & evidence

ORD record
ord-39f2d63dc3454c7d90686b649f4479e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…