Acetate → 6-Bromo-2-(3-hydroxy-2,2-dimethylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carbaldehyde

HRID 181968Notes

Reaction equation

HRID 181968 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].[CH3:26][S:27]([CH3:28])=[O:29].[Na+:21]>>[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][OH:24])([CH3:17])[CH3:18])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1

Participants

5

Reactant 4

HCID 175AcetateHCID 679Dimethyl SulfoxideHCID 923Sodium ionHCID 866409616-Bromo-2-(3-chloro-2,2-dimethylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carbaldehyde

Product 1

HCID 866409686-Bromo-2-(3-hydroxy-2,2-dimethylpropyl)-1-oxo-1,2-dihydroisoquinoline-4-carbaldehyde

Sources & evidence

ORD record
ord-8f9bf9cfaaa14e32b6f5bbff990e34b1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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