Sodium ion → 6-Bromo-2-(3-hydroxy-2,2-dimethylpropyl)isoquinolin-1(2H)-one

HRID 1546758Notes

Reaction equation

HRID 1546758 reaction equation
[Br:19][CH2:20][C:21]([CH2:22][OH:23])([CH3:24])[CH3:25].[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][nH:7][c:8](=[O:12])[c:9]2[cH:10][cH:11]1.[C:13](=[O:14])([O-:15])[O-:16].[CH3:28][N:29]1[CH2:30][CH2:31][CH2:32][C:33]1=[O:34].[Cs+:17].[Cs+:18].[I-:27].[Na+:26].[OH2:35]>>[Br:1][c:2]1[cH:3][c:4]2[cH:5][cH:6][n:7]([CH2:20][C:21]([CH2:22][OH:23])([CH3:24])[CH3:25])[c:8](=[O:12])[c:9]2[cH:10][cH:11]1

Participants

9

Reactant 8

HCID 923Sodium ionHCID 962WaterHCID 13387N-methyl-2-pyrrolidoneHCID 19660Carbonate IonHCID 30165Iodide IonHCID 104967Cesium cation2×HCID 1425013-Bromo-2,2-dimethyl-1-propanolHCID 158851826-Bromoisoquinolin-1(2H)-one

Product 1

HCID 574398956-Bromo-2-(3-hydroxy-2,2-dimethylpropyl)isoquinolin-1(2H)-one

Sources & evidence

ORD record
ord-40b9fa0ef84a427891d3dd72622a8b69
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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