Acetate → Tert-butyl 7-[3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepine-4-carboxylate

HRID 1551657Notes

Reaction equation

HRID 1551657 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][NH:11][c:12]2[c:13]([cH:15][c:16]([Br:19])[cH:17][n:18]2)[CH2:14]1.[C:37](#[N:38])[CH2:39][CH3:40].[CH3:20][N:21]([C:22]([CH:23]=[CH2:24])=[O:25])[CH2:26][c:27]1[o:28][c:29]2[c:30]([c:31]1[CH3:32])[cH:33][cH:34][cH:35][cH:36]2.[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[O-:53][C:54]([CH3:55])=[O:56].[O-:57][C:58]([CH3:59])=[O:60].[O:41]=[CH:42][N:43]([CH3:44])[CH3:45].[Pd+2:52]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[N:8]1[CH2:9][CH2:10][NH:11][c:12]2[c:13]([cH:15][c:16]([CH:24]=[CH:23][C:22]([N:21]([CH3:20])[CH2:26][c:27]3[o:28][c:29]4[c:30]([c:31]3[CH3:32])[cH:33][cH:34][cH:35][cH:36]4)=[O:25])[cH:17][n:18]2)[CH2:14]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6228DimethylformamideHCID 7854PropionitrileHCID 8857Ethyl AcetateHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 57742103N-methyl-N-(3-methylbenzofuran-2-ylmethyl)acrylamideHCID 593328327-Bromo-1,2,3,5-tetrahydro-pyrido[2,3-e][1,4]diazepine-4-carboxylic acid tert-butyl ester

Product 1

HCID 68412933Tert-butyl 7-[3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-1,2,3,5-tetrahydropyrido[2,3-e][1,4]diazepine-4-carboxylate

Sources & evidence

ORD record
ord-1a65ae3246e941c1aee68a5d97e8833f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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