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Acetone → 3-[7-[2-(dimethylamino)ethoxy]-1-oxoisoquinolin-2(1H)-yl]-4-methylbenzoic acid

HRID 670681
Notes
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Reaction equation

HRID 670681 reaction equation
[C:30](=[O:31])([O-:32])[O-:33].[CH3:24][N:25]([CH2:26][CH2:27][Cl:28])[CH3:29].[CH3:40][C:41](=[O:42])[CH3:43].[ClH:23].[I-:37].[K+:34].[K+:35].[Na+:36].[Na+:39].[OH-:38].[OH:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][n:8](-[c:13]3[cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20][c:21]3[CH3:22])[c:9](=[O:12])[c:10]2[cH:11]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]2[cH:6][cH:7][n:8](-[c:13]3[cH:14][c:15]([C:16](=[O:17])[OH:18])[cH:19][cH:20][c:21]3[CH3:22])[c:9](=[O:12])[c:10]2[cH:11]1)[CH2:27][CH2:26][N:25]([CH3:24])[CH3:29]
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 180AcetoneHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 923Sodium Ion2×HCID 961HydroxideHCID 79012-Chloro-N,N-dimethylethylamineHCID 19660Carbonate Ion
HCID 30165
Iodide Ion
HCID 670185873-(7-hydroxy-1-oxo-1H-isoquinolin-2-yl)-4-methylbenzoic acid

Product 1

HCID 670185793-[7-[2-(dimethylamino)ethoxy]-1-oxoisoquinolin-2(1H)-yl]-4-methylbenzoic acid

Sources & evidence

ORD record
ord-79eca51e2a5e4d0ca0cab67a634f210c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes