Acetate → 2-[2-(4-Methoxy-benzyl)-1-oxo-1,2,3,4-tetrahydro-isoquinolin-6-yl]-2-methyl-propionaldehyde

HRID 2336856Notes

Reaction equation

HRID 2336856 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[N:7]([CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]1)[CH2:6][CH2:5]2.[C:22](=[O:23])([O-:24])[O-:25].[C:39]([O-:40])(=[O:41])[CH3:42].[C:44]([O-:45])(=[O:46])[CH3:47].[CH:28]([CH:29]([CH3:30])[CH3:31])=[O:32].[Cs+:26].[Cs+:27].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[Pd+2:43]>>[c:2]1([C:29]([CH:28]=[O:32])([CH3:30])[CH3:31])[cH:3][c:4]2[c:9]([cH:10][cH:11]1)[C:8](=[O:12])[N:7]([CH2:13][c:14]1[cH:15][cH:16][c:17]([O:20][CH3:21])[cH:18][cH:19]1)[CH2:6][CH2:5]2

Participants

8

Reactant 7

HCID 175Acetate2×HCID 6561IsobutyraldehydeHCID 19660Carbonate IonHCID 312751,4-DioxaneHCID 104967Cesium cation2×HCID 105144Allyl(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)chloropalladium(II)HCID 592164816-Bromo-2-(4-methoxy-benzyl)-3,4-dihydro-2H-isoquinolin-1-one

Product 1

HCID 592164762-[2-(4-Methoxy-benzyl)-1-oxo-1,2,3,4-tetrahydro-isoquinolin-6-yl]-2-methyl-propionaldehyde

Sources & evidence

ORD record
ord-919c86f6643c4b239ca03088acb23d73
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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