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

HRID 2327707Notes

Reaction equation

HRID 2327707 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].[CH3:54][CH2:55][O:56][C:57]([CH3:58])=[O:59].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:17][CH2:18][CH2:19][CH3:20])[c:6]([CH2:7][N:8]([C:9]([CH:10]=[CH2:11])=[O:12])[CH3:13])[cH:14][cH:15][cH:16]1.[CH:21]([N:22]([CH:23]([CH3:24])[CH3:25])[CH2:26][CH3:27])([CH3:28])[CH3:29].[O-:62][C:63]([CH3:64])=[O:65].[O-:66][C:67]([CH3:68])=[O:69].[O:49]=[CH:50][N:51]([CH3:52])[CH3:53].[OH2:60].[Pd+2:61]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([O:17][CH2:18][CH2:19][CH3:20])[c:6]([CH2:7][N:8]([C:9]([CH:10]=[CH:11][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:12])[CH3:13])[cH:14][cH:15][cH:16]1

Participants

10

Reactant 9

HCID 175Acetate2×HCID 962WaterHCID 6228DimethylformamideHCID 7854PropionitrileHCID 8857Ethyl AcetateHCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 59277555N-(3-Isopropyl-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 669669763-(3,3-dimethyl-2-oxo-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-methyl-N-[(3-propan-2-yl-2-propoxyphenyl)methyl]prop-2-enamide

Sources & evidence

ORD record
ord-75ca2eecc8b945d49fdec375a8574232
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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