Acetate → 3-(6-Bromo-4-formyl-1-oxoisoquinolin-2(1H)-yl)-2,2-dimethylpropyl acetate

HRID 140659Notes

Reaction equation

HRID 140659 reaction equation
[Br:1][c:2]1[cH:3][c:4]2[c:5]([CH:19]=[O:20])[cH:6][n:7]([CH2:13][C:14]([CH2:15][Cl:16])([CH3:17])[CH3:18])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[CH3:22][C:23]([O-:24])=[O:25].[CH3:28][S:29]([CH3:30])=[O:31].[I-:27].[Na+:21].[Na+:26].[OH2:32]>>[Br:1][c:2]1[cH:3][c:4]2[c:5]([CH:19]=[O:20])[cH:6][n:7]([CH2:13][C:14]([CH2:15][O:25][C:23]([CH3:22])=[O:24])([CH3:17])[CH3:18])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1

Participants

7

Reactant 6

HCID 175AcetateHCID 679Dimethyl SulfoxideHCID 923Sodium ion2×HCID 962WaterHCID 30165Iodide IonHCID 866409616-Bromo-2-(3-chloro-2,2-dimethylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carbaldehyde

Product 1

HCID 866409623-(6-Bromo-4-formyl-1-oxoisoquinolin-2(1H)-yl)-2,2-dimethylpropyl acetate

Sources & evidence

ORD record
ord-42d824a774584457a098f575e57b63aa
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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