Acetate → 3-(1,2-Dihydro-1-oxo-7-isoquinolinyl)-benzonitrile

HRID 1115761Notes

Reaction equation

HRID 1115761 reaction equation
[Br:14][c:15]1[cH:16][cH:17][c:18]2[cH:19][cH:20][nH:21][c:22](=[O:25])[c:23]2[cH:24]1.[C:29]([O-:30])(=[O:31])[CH3:32].[C:34]([O-:35])(=[O:36])[CH3:37].[C:3](#[N:4])[c:5]1[cH:6][c:7]([B:11]([OH:12])[OH:13])[cH:8][cH:9][cH:10]1.[CH3:27][OH:28].[Na+:2].[OH-:1].[OH2:26].[Pd+2:33]>>[C:3](#[N:4])[c:5]1[cH:6][c:7](-[c:15]2[cH:16][cH:17][c:18]3[cH:19][cH:20][nH:21][c:22](=[O:25])[c:23]3[cH:24]2)[cH:8][cH:9][cH:10]1

Participants

9

Reactant 8

HCID 175Acetate2×HCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 27343253-Cyanophenylboronic acidHCID 112761337-Bromoisoquinolin-1-ol

Product 1

HCID 534249783-(1,2-Dihydro-1-oxo-7-isoquinolinyl)-benzonitrile

Sources & evidence

ORD record
ord-26efadb7f9574e528f9484b6020149a0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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