Acetate → 3-(5,7,8,9-Tetrahydro-6-oxa-1,9-diaza-benzocyclohepten-3-yl)-acrylic acid tert-butyl ester

HRID 1151819Notes

Reaction equation

HRID 1151819 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:11][cH:12]1)[NH:6][CH2:7][CH2:8][O:9][CH2:10]2.[C:13]([CH:14]=[CH2:15])(=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21].[C:22](#[N:23])[CH2:24][CH3:25].[O-:32][C:33]([CH3:34])=[O:35].[O-:36][C:37]([CH3:38])=[O:39].[O:26]=[CH:27][N:28]([CH3:29])[CH3:30].[Pd+2:31]>>[c:2]1([CH:15]=[CH:14][C:13](=[O:16])[O:17][C:18]([CH3:19])([CH3:20])[CH3:21])[cH:3][c:4]2[c:5]([n:11][cH:12]1)[NH:6][CH2:7][CH2:8][O:9][CH2:10]2

Participants

7

Reactant 6

HCID 175Acetate2×HCID 6228DimethylformamideHCID 7854PropionitrileHCID 15458tert-Butyl acrylateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 593328677-bromo-1H,2H,3H,5H-pyrido[2,3-e][1,4]oxazepine

Product 1

HCID 684131563-(5,7,8,9-Tetrahydro-6-oxa-1,9-diaza-benzocyclohepten-3-yl)-acrylic acid tert-butyl ester

Sources & evidence

ORD record
ord-0e7bd5d163f8497dad83fdd6edc49cd7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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