Acetic Acid → 4-(4-((dimethylamino)methyl)phenyl)-5-hydroxyisoquinolin-1(2H)-one

HRID 1114498Notes

Reaction equation

[BrH:24].[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][n:13][c:14]([O:22][CH3:23])[c:15]3[cH:16][cH:17][cH:18][c:19]([OH:21])[c:20]23)[cH:9][cH:10]1.[CH3:26][C:27](=[O:28])[OH:29].[OH2:25]>>[CH3:1][N:2]([CH3:3])[CH2:4][c:5]1[cH:6][cH:7][c:8](-[c:11]2[cH:12][nH:13][c:14](=[O:22])[c:15]3[cH:16][cH:17][cH:18][c:19]([OH:21])[c:20]23)[cH:9][cH:10]1

Participants

Reactant 4

HCID 176Acetic Acid

HCID 260Hydrogen Bromide

HCID 962Water

HCID 692021304-{4-[(Dimethylamino)methyl]phenyl}-1-methoxyisoquinolin-5-ol

Product 1

HCID 98390734-(4-((dimethylamino)methyl)phenyl)-5-hydroxyisoquinolin-1(2H)-one

Sources & evidence

ORD record: ord-fbcf5ed4cf4f49a9885f95ba75e19ac1
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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