Acetic Acid → 1-Isopropyl-5-hydroxymethylisoquinoline
Reaction equation
[CH3:22][C:23](=[O:24])[OH:25].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][cH:6][cH:7][c:8]2[c:9]([CH2:14][NH2:15])[cH:10][cH:11][cH:12][c:13]12.[N:16](=[O:17])[O-:18].[Na+:19].[Na+:21].[OH-:20].[OH2:26]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][cH:6][cH:7][c:8]2[c:9]([CH2:14][OH:17])[cH:10][cH:11][cH:12][c:13]12Participants
7
Sources & evidence
- ORD record
- ord-9695af91aeac42069b6e50ce6e2fd22e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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