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

HRID 171610Notes

Reaction equation

HRID 171610 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:20][cH:21]1)[NH:6][C:7](=[O:19])[CH2:8][N:9]([CH2:11][CH2:12][N:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1)[CH2:10]2.[C:22]([CH:23]=[CH2:24])(=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30].[C:31](#[N:32])[CH2:33][CH3:34].[CH3:40][CH2:41][O:42][CH2:43][CH3:44].[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[O:35]=[CH:36][N:37]([CH3:38])[CH3:39].[Pd+2:45]>>[c:2]1([CH:24]=[CH:23][C:22](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[cH:3][c:4]2[c:5]([n:20][cH:21]1)[NH:6][C:7](=[O:19])[CH2:8][N:9]([CH2:11][CH2:12][N:13]1[CH2:14][CH2:15][O:16][CH2:17][CH2:18]1)[CH2:10]2

Participants

8

Reactant 7

HCID 175Acetate2×HCID 3283Diethyl EtherHCID 6228DimethylformamideHCID 7854PropionitrileHCID 15458tert-Butyl acrylateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 594569787-Bromo-4-(2-morpholin-4-yl-ethyl)-1,3,4,5-tetrahydro-pyrido[2,3-e][1,4]diazepin-2-one

Product 1

HCID 66967405tert-butyl 3-[4-(2-morpholin-4-ylethyl)-2-oxo-3,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-7-yl]prop-2-enoate

Sources & evidence

ORD record
ord-f01f352c6bfa413ba82c2e2990d661fd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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