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

HRID 1560244Notes

Reaction equation

HRID 1560244 reaction equation
[Br:28][c:29]1[cH:30][c:31]2[c:32]([n:41][cH:42]1)[NH:33][C:34](=[O:40])[C:35]([CH3:38])([CH3:39])[NH:36][CH2:37]2.[C:43](#[N:44])[CH2:45][CH3:46].[CH3:52][CH2:53][O:54][C:55]([CH3:56])=[O:57].[CH:19]([N:20]([CH:21]([CH3:22])[CH3:23])[CH2:24][CH3:25])([CH3:26])[CH3:27].[Cl:1][c:2]1[c:3]([O:15][CH2:16][CH2:17][CH3:18])[c:4]([CH2:5][N:6]([C:7]([CH:8]=[CH2:9])=[O:10])[CH3:11])[cH:12][cH:13][cH:14]1.[O-:59][C:60]([CH3:61])=[O:62].[O-:63][C:64]([CH3:65])=[O:66].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51].[Pd+2:58]>>[Cl:1][c:2]1[c:3]([O:15][CH2:16][CH2:17][CH3:18])[c:4]([CH2:5][N:6]([C:7]([CH:8]=[CH:9][c:29]2[cH:30][c:31]3[c:32]([n:41][cH:42]2)[NH:33][C:34](=[O:40])[C:35]([CH3:38])([CH3:39])[NH:36][CH2:37]3)=[O:10])[CH3:11])[cH:12][cH:13][cH:14]1

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 59277565N-(3-Chloro-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 66967047N-[(3-chloro-2-propoxyphenyl)methyl]-3-(3,3-dimethyl-2-oxo-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-N-methylprop-2-enamide

Sources & evidence

ORD record
ord-65a43cbb57674115be644f9d69eb6415
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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