Acetate → 3-(3,3-dimethyl-4,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-8-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide

HRID 180564Notes

Reaction equation

HRID 180564 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:13][cH:14]1)[NH:6][CH2:7][C:8]([CH3:11])([CH3:12])[CH2:9][O:10]2.[C:32](#[N:33])[CH2:34][CH3:35].[CH3:15][N:16]([C:17]([CH:18]=[CH2:19])=[O:20])[CH2:21][c:22]1[o:23][c:24]2[c:25]([c:26]1[CH3:27])[cH:28][cH:29][cH:30][cH:31]2.[O-:43][C:44]([CH3:45])=[O:46].[O-:47][C:48]([CH3:49])=[O:50].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[OH2:41].[Pd+2:42]>>[c:2]1([CH:19]=[CH:18][C:17]([N:16]([CH3:15])[CH2:21][c:22]2[o:23][c:24]3[c:25]([c:26]2[CH3:27])[cH:28][cH:29][cH:30][cH:31]3)=[O:20])[cH:3][c:4]2[c:5]([n:13][cH:14]1)[NH:6][CH2:7][C:8]([CH3:11])([CH3:12])[CH2:9][O:10]2

Participants

8

Reactant 7

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 7854PropionitrileHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 57742103N-methyl-N-(3-methylbenzofuran-2-ylmethyl)acrylamideHCID 593328368-Bromo-3,3-dimethyl-2,3,4,5-tetrahydropyrido[3,2-b][1,4]oxazepine

Product 1

HCID 684129183-(3,3-dimethyl-4,5-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-8-yl)-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide

Sources & evidence

ORD record
ord-d7484a37c757422980457a510dab5570
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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