Acetate → 1,1-Dimethylethyl 3-(5-cyano-1-isoquinolinyl)propanoate

HRID 179394Notes

Reaction equation

HRID 179394 reaction equation
[Br:1][c:2]1[c:3]2[cH:4][cH:5][n:6][c:7]([CH2:12][CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[c:8]2[cH:9][cH:10][cH:11]1.[C:39]([O-:40])(=[O:41])[CH3:42].[C:44]([O-:45])(=[O:46])[CH3:47].[CH3:27][N:28]([CH3:29])[C:30](=[O:31])[CH3:32].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[Na+:21].[Na+:22].[O-:23][C:24](=[O:25])[O-:26].[Pd+2:43]>>[c:2]1([C:27]#[N:28])[c:3]2[cH:4][cH:5][n:6][c:7]([CH2:12][CH2:13][C:14](=[O:15])[O:16][C:17]([CH3:18])([CH3:19])[CH3:20])[c:8]2[cH:9][cH:10][cH:11]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 923Sodium ion2×HCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 581499231,1-Dimethylethyl 3-(5-bromo-1-isoquinolinyl)propanoate

Product 1

HCID 581499281,1-Dimethylethyl 3-(5-cyano-1-isoquinolinyl)propanoate

Sources & evidence

ORD record
ord-d6bd8e2ddd3940ac888665d827be2628
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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