Acetate → Tert-butyl 3-(8-oxo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl)prop-2-enoate

HRID 298992Notes

Reaction equation

HRID 298992 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:12][cH:13]1)[NH:6][C:7](=[O:11])[CH2:8][CH2:9][CH2:10]2.[C:14]([CH:15]=[CH2:16])(=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22].[C:34](#[N:35])[CH2:36][CH3:37].[CH:23]([N:24]([CH2:25][CH3:26])[CH:27]([CH3:28])[CH3:29])([CH3:30])[CH3:31].[N:32]#[N:33].[O-:39][C:40]([CH3:41])=[O:42].[O-:43][C:44]([CH3:45])=[O:46].[Pd+2:38]>>[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][C:7](=[O:11])[CH2:8][CH2:9][CH2:10]2

Participants

8

Reactant 7

HCID 175Acetate2×HCID 947NitrogenHCID 7854PropionitrileHCID 15458tert-Butyl acrylateHCID 81531DiisopropylethylamineHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 221390243-Bromo-5,6,7,9-tetrahydro-pyrido[2,3-b]azepin-8-one

Product 1

HCID 74064057Tert-butyl 3-(8-oxo-5,6,7,9-tetrahydropyrido[2,3-b]azepin-3-yl)prop-2-enoate

Sources & evidence

ORD record
ord-4fc7db244a6643ddadcecb4e6fba3ad1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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