Acetate → benzyl 7-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate

HRID 664459Notes

Reaction equation

HRID 664459 reaction equation
[C:24]([CH:25]=[CH2:26])(=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32].[C:33](#[N:34])[CH2:35][CH3:36].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][C:13](=[O:23])[NH:14][c:15]2[c:16]([cH:18][c:19]([Br:22])[cH:20][n:21]2)[CH2:17]1.[O-:43][C:44]([CH3:45])=[O:46].[O-:47][C:48]([CH3:49])=[O:50].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[Pd+2:42]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][C:9](=[O:10])[N:11]1[CH2:12][C:13](=[O:23])[NH:14][c:15]2[c:16]([cH:18][c:19]([CH:26]=[CH:25][C:24](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:20][n:21]2)[CH2:17]1

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 594569487-Bromo-2-oxo-1,2,3,5-tetrahydro-pyrido[2,3-e][1,4]diazepine-4-carboxylic acid benzyl ester

Product 1

HCID 66966931benzyl 7-[3-[(2-methylpropan-2-yl)oxy]-3-oxoprop-1-enyl]-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepine-4-carboxylate

Sources & evidence

ORD record
ord-328f40f656c84442a972cc2534fbbcdb
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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