Hydrochloric Acid → 4-methyl-3-[7-(4-methylpiperazin-1-yl)-1-oxoisoquinolin-2(1H)-yl]benzoic acid
Reaction equation
[CH3:1][c:2]1[c:3](-[n:12]2[c:13](=[O:29])[c:14]3[cH:15][c:16]([N:22]4[CH2:23][CH2:24][N:25]([CH3:28])[CH2:26][CH2:27]4)[cH:17][cH:18][c:19]3[cH:20][cH:21]2)[cH:4][c:5]([C:6](=[O:7])[O:8][CH3:9])[cH:10][cH:11]1.[CH3:33][OH:34].[ClH:32].[Na+:31].[OH-:30]>>[CH3:1][c:2]1[c:3](-[n:12]2[c:13](=[O:29])[c:14]3[cH:15][c:16]([N:22]4[CH2:23][CH2:24][N:25]([CH3:28])[CH2:26][CH2:27]4)[cH:17][cH:18][c:19]3[cH:20][cH:21]2)[cH:4][c:5]([C:6](=[O:7])[OH:8])[cH:10][cH:11]1Participants
6
Sources & evidence
- ORD record
- ord-7d1e5c6a13e04042a1eab6a28d9fcea6
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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