Acetate → 3-(3-Oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-acrylic acid tert-butyl ester

HRID 2327835Notes

Reaction equation

HRID 2327835 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:12][cH:13]1)[NH:6][CH2:7][C:8](=[O:11])[NH:9][CH2:10]2.[C:14]([CH:15]=[CH2:16])(=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22].[C:37]([O-:38])(=[O:39])[CH3:40].[C:42]([O-:43])(=[O:44])[CH3:45].[CH:23]([N:24]([CH:25]([CH3:26])[CH3:27])[CH2:28][CH3:29])([CH3:30])[CH3:31].[O:32]=[CH:33][N:34]([CH3:35])[CH3:36].[Pd+2:41]>>[c:2]1([CH:16]=[CH:15][C:14](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[cH:3][c:4]2[c:5]([n:12][cH:13]1)[NH:6][CH2:7][C:8](=[O:11])[NH:9][CH2:10]2

Participants

7

Reactant 6

HCID 175Acetate2×HCID 6228DimethylformamideHCID 15458tert-Butyl acrylateHCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 592776207-Bromo-1,2,4,5-tetrahydro-pyrido[2,3-e][1,4]diazepin-3-one

Product 1

HCID 669672043-(3-Oxo-2,3,4,5-tetrahydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl)-acrylic acid tert-butyl ester

Sources & evidence

ORD record
ord-3ef56464dec24d32ad43ba937f558cb0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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