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

HRID 1214611Notes

Reaction equation

HRID 1214611 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:22][cH:23]1)[NH:6][C:7](=[O:21])[CH2:8][N:9]([CH2:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([CH3:20])[CH2:18][CH2:19]1)[CH2:10]2.[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].[Cl:42][CH2:43][Cl:44].[O-:46][C:47]([CH3:48])=[O:49].[O-:50][C:51]([CH3:52])=[O:53].[O:37]=[CH:38][N:39]([CH3:40])[CH3:41].[Pd+2:45]>>[c:2]1([CH:26]=[CH:25][C:24](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:3][c:4]2[c:5]([n:22][cH:23]1)[NH:6][C:7](=[O:21])[CH2:8][N:9]([CH2:11][C:12](=[O:13])[N:14]1[CH2:15][CH2:16][N:17]([CH3:20])[CH2:18][CH2:19]1)[CH2:10]2

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6228DimethylformamideHCID 6344DichloromethaneHCID 7854PropionitrileHCID 15458tert-Butyl acrylateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 594569067-Bromo-4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-1,3,4,5-tetrahydro-pyrido[2,3-e][1,4]diazepin-2-one

Product 1

HCID 66967023tert-butyl 3-[4-[2-(4-methylpiperazin-1-yl)-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-8c8deb86c17f4e8b822ca3a136d2113c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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