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

HRID 2137890Notes

Reaction equation

HRID 2137890 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:35](#[N:36])[CH2:37][CH3:38].[CH3:16][O:17][c:18]1[c:19]([O:31][CH2:32][CH2:33][CH3:34])[c:20]([CH2:21][N:22]([C:23]([CH:24]=[CH2:25])=[O:26])[CH3:27])[cH:28][cH:29][cH:30]1.[CH3:44][CH2:45][O:46][CH2:47][CH3:48].[CH3:49][CH2:50][O:51][C:52]([CH3:53])=[O:54].[O-:56][C:57]([CH3:58])=[O:59].[O-:60][C:61]([CH3:62])=[O:63].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[Pd+2:55]>>[c:2]1([CH:25]=[CH:24][C:23]([N:22]([CH2:21][c:20]2[c:19]([O:31][CH2:32][CH2:33][CH3:34])[c:18]([O:17][CH3:16])[cH:30][cH:29][cH:28]2)[CH3:27])=[O:26])[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

9

Reactant 8

HCID 175Acetate2×HCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 7854PropionitrileHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 57742093N-(3-Methoxy-2-propoxybenzyl)-N-methylacrylamideHCID 594569147-Bromo-3,3-dimethyl-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one

Product 1

HCID 669675183-(3,3-dimethyl-2-oxo-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-[(3-methoxy-2-propoxyphenyl)methyl]-N-methylprop-2-enamide

Sources & evidence

ORD record
ord-f77db9aea62649f68c390345104848e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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