Acetate → tert-butyl 3-[4-(2-ethoxy-2-oxoethyl)-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]prop-2-enoate

HRID 2337825Notes

Reaction equation

HRID 2337825 reaction equation
[C:20]([CH:21]=[CH2:22])(=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28].[C:29](#[N:30])[CH2:31][CH3:32].[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]1[CH2:7][C:8](=[O:18])[NH:9][c:10]2[c:11]([cH:13][c:14]([Br:17])[cH:15][n:16]2)[CH2:12]1)=[O:19].[O-:39][C:40]([CH3:41])=[O:42].[O-:43][C:44]([CH3:45])=[O:46].[O:33]=[CH:34][N:35]([CH3:36])[CH3:37].[Pd+2:38]>>[CH2:1]([CH3:2])[O:3][C:4]([CH2:5][N:6]1[CH2:7][C:8](=[O:18])[NH:9][c:10]2[c:11]([cH:13][c:14]([CH:22]=[CH:21][C:20](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[cH:15][n:16]2)[CH2:12]1)=[O:19]

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 59456907(7-Bromo-2-oxo-1,2,3,5-tetrahydro-pyrido[2,3-e][1,4]diazepin-4-yl)acetic acid ethyl ester

Product 1

HCID 66966982tert-butyl 3-[4-(2-ethoxy-2-oxoethyl)-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]prop-2-enoate

Sources & evidence

ORD record
ord-a04fb4aca4944aedb114bc805caaf16b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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