Acetate → tert-butyl 8-[3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-b][1,5]diazocine-5-carboxylate

HRID 208253Notes

Reaction equation

HRID 208253 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([n:19][cH:20]1)[NH:6][CH2:7][CH2:8][CH2:9][N:10]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:11]2.[C:43](#[N:44])[CH2:45][CH3:46].[CH3:21][N:22]([C:23]([CH:24]=[CH2:25])=[O:26])[CH2:27][c:28]1[o:29][c:30]2[c:31]([c:32]1[CH3:33])[cH:34][cH:35][cH:36][cH:37]2.[O-:48][C:49]([CH3:50])=[O:51].[O-:52][C:53]([CH3:54])=[O:55].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[Pd+2:47]>>[c:2]1([CH:25]=[CH:24][C:23]([N:22]([CH3:21])[CH2:27][c:28]2[o:29][c:30]3[c:31]([c:32]2[CH3:33])[cH:34][cH:35][cH:36][cH:37]3)=[O:26])[cH:3][c:4]2[c:5]([n:19][cH:20]1)[NH:6][CH2:7][CH2:8][CH2:9][N:10]([C:12](=[O:13])[O:14][C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:11]2

Participants

7

Reactant 6

HCID 175Acetate2×HCID 6228DimethylformamideHCID 7854PropionitrileHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 57742103N-methyl-N-(3-methylbenzofuran-2-ylmethyl)acrylamideHCID 59332831tert-butyl 8-bromo-1,2,3,4-tetrahydropyrido[2,3-b][1,5]diazocine-5(6H)-carboxylate

Product 1

HCID 68412766tert-butyl 8-[3-[methyl-[(3-methyl-1-benzofuran-2-yl)methyl]amino]-3-oxoprop-1-enyl]-2,3,4,6-tetrahydro-1H-pyrido[2,3-b][1,5]diazocine-5-carboxylate

Sources & evidence

ORD record
ord-13e4f3194e4d47ff8c6a745a6db849e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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