Acetate → N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2-oxo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide

HRID 1118007Notes

Reaction equation

HRID 1118007 reaction equation
[Br:2][c:3]1[cH:4][c:5]2[c:6]([n:13][cH:14]1)[NH:7][C:8](=[O:12])[CH2:9][NH:10][CH2:11]2.[C:32](#[N:33])[CH2:34][CH3:35].[CH3:15][N:16]([C:17]([CH:18]=[CH2:19])=[O:20])[CH2:21][c:22]1[o:23][c:24]2[c:25]([c:26]1[CH3:27])[cH:28][cH:29][cH:30][cH:31]2.[CH3:44][OH:45].[Cl:41][CH2:42][Cl:43].[ClH:1].[O-:47][C:48]([CH3:49])=[O:50].[O-:51][C:52]([CH3:53])=[O:54].[O:36]=[CH:37][N:38]([CH3:39])[CH3:40].[Pd+2:46]>>[c:3]1([CH:19]=[CH:18][C:17]([N:16]([CH3:15])[CH2:21][c:22]2[o:23][c:24]3[c:25]([c:26]2[CH3:27])[cH:28][cH:29][cH:30][cH:31]3)=[O:20])[cH:4][c:5]2[c:6]([n:13][cH:14]1)[NH:7][C:8](=[O:12])[CH2:9][NH:10][CH2:11]2

Participants

10

Reactant 9

HCID 175Acetate2×HCID 313Hydrochloric AcidHCID 887MethanolHCID 6228DimethylformamideHCID 6344DichloromethaneHCID 7854PropionitrileHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 57742103N-methyl-N-(3-methylbenzofuran-2-ylmethyl)acrylamideHCID 594569547-Bromo-4,5-dihydro-1H-pyrido[2,3-e][1,4]diazepin-2(3H)-one

Product 1

HCID 66967126N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]-3-(2-oxo-1,3,4,5-tetrahydropyrido[2,3-e][1,4]diazepin-7-yl)prop-2-enamide

Sources & evidence

ORD record
ord-3678161911954f2fa4238c45615b8aff
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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