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

HRID 94130Notes

Reaction equation

HRID 94130 reaction equation
[Br:30][c:31]1[cH:32][c:33]2[c:34]([n:43][cH:44]1)[NH:35][C:36](=[O:42])[C:37]([CH3:40])([CH3:41])[NH:38][CH2:39]2.[C:45](#[N:46])[CH2:47][CH3:48].[CH2:1]([CH:2]([CH3:3])[CH3:4])[O:5][c:6]1[c:7]([CH2:8][N:9]([C:10]([CH:11]=[CH2:12])=[O:13])[CH3:14])[cH:15][cH:16][cH:17][c:18]1[O:19][CH3:20].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[CH:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH2:26][CH3:27])([CH3:28])[CH3:29].[O-:61][C:62]([CH3:63])=[O:64].[O-:65][C:66]([CH3:67])=[O:68].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[Pd+2:60]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[O:5][c:6]1[c:7]([CH2:8][N:9]([C:10]([CH:11]=[CH:12][c:31]2[cH:32][c:33]3[c:34]([n:43][cH:44]2)[NH:35][C:36](=[O:42])[C:37]([CH3:40])([CH3:41])[NH:38][CH2:39]3)=[O:13])[CH3:14])[cH:15][cH:16][cH:17][c:18]1[O:19][CH3:20]

Participants

9

Reactant 8

HCID 175Acetate2×HCID 6228DimethylformamideHCID 7854PropionitrileHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 59277527N-(2-Isobutoxy-3-methoxybenzyl)-N-methylacrylamideHCID 594569147-Bromo-3,3-dimethyl-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-2-one

Product 1

HCID 669666223-(3,3-dimethyl-2-oxo-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-[[3-methoxy-2-(2-methylpropoxy)phenyl]methyl]-N-methylprop-2-enamide

Sources & evidence

ORD record
ord-c33a80b7bdca45638475b8db763d8c49
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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