Hydrochloric Acid → 3-[4-Butoxy-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-(2-methylpropyl)-1-oxoisoquinolin-6-yl]prop-2-enoic acid
Reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[c:7]([CH2:28][NH:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[n:8]([CH2:24][CH:25]([CH3:26])[CH3:27])[c:9](=[O:23])[c:10]2[cH:11][cH:12][c:13]([CH:16]=[CH:17][C:18](=[O:19])[O:20][CH2:21][CH3:22])[cH:14][c:15]12.[CH3:46][CH2:47][OH:48].[ClH:40].[Na+:38].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1.[OH-:37].[OH2:39]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][c:6]1[c:7]([CH2:28][NH:29][C:30](=[O:31])[O:32][C:33]([CH3:34])([CH3:35])[CH3:36])[n:8]([CH2:24][CH:25]([CH3:26])[CH3:27])[c:9](=[O:23])[c:10]2[cH:11][cH:12][c:13]([CH:16]=[CH:17][C:18](=[O:19])[OH:20])[cH:14][c:15]12Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-80aa79d49a424719bf15370edff85893
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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