Acetate → 3-(3,3-dimethyl-2-oxo-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-[(3-ethyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide

HRID 699769Notes

Reaction equation

HRID 699769 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:14][cH:15]1)[NH:6][C:7](=[O:13])[C:8]([CH3:11])([CH3:12])[NH:9][CH2:10]2.[C:34](#[N:35])[CH2:36][CH3:37].[CH2:16]([CH3:17])[c:18]1[c:19]([CH2:27][N:28]([C:29]([CH:30]=[CH2:31])=[O:32])[CH3:33])[o:20][c:21]2[c:22]1[cH:23][cH:24][cH:25][cH:26]2.[O-:44][C:45]([CH3:46])=[O:47].[O-:48][C:49]([CH3:50])=[O:51].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[Pd+2:43]>>[c:2]1([CH:31]=[CH:30][C:29]([N:28]([CH2:27][c:19]2[c:18]([CH2:16][CH3:17])[c:22]3[c:21]([o:20]2)[cH:26][cH:25][cH:24][cH:23]3)[CH3:33])=[O:32])[cH:3][c:4]2[c:5]([n:14][cH:15]1)[NH:6][C:7](=[O:13])[C:8]([CH3:11])([CH3:12])[NH:9][CH2:10]2

Participants

7

Reactant 6

HCID 175Acetate2×HCID 6228DimethylformamideHCID 7854PropionitrileHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 59277547HCID 59277547, compoundHCID 594569147-Bromo-3,3-dimethyl-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one

Product 1

HCID 669672023-(3,3-dimethyl-2-oxo-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-[(3-ethyl-1-benzofuran-2-yl)methyl]-N-methylprop-2-enamide

Sources & evidence

ORD record
ord-a834c820590542e9916acd356f792656
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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