Ethanol → tert-Butyl [3-(7,8-diamino-4,4-dimethyl-1,3-dioxo-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-[2-(3,4-dimethoxyphenyl)ethyl]carbamate
Reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][CH2:49]1.[CH3:42][CH2:43][OH:44].[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([c:11]1[N+:12]([O-:13])=[O:14])[C:9](=[O:15])[N:8]([CH2:16][CH2:17][CH2:18][N:19]([C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:27][CH2:28][c:29]1[cH:30][c:31]([O:37][CH3:38])[c:32]([O:35][CH3:36])[cH:33][cH:34]1)[C:7](=[O:39])[C:6]2([CH3:40])[CH3:41]>>[NH2:1][c:2]1[cH:3][cH:4][c:5]2[c:10]([c:11]1[NH2:12])[C:9](=[O:15])[N:8]([CH2:16][CH2:17][CH2:18][N:19]([C:20]([O:21][C:22]([CH3:23])([CH3:24])[CH3:25])=[O:26])[CH2:27][CH2:28][c:29]1[cH:30][c:31]([O:37][CH3:38])[c:32]([O:35][CH3:36])[cH:33][cH:34]1)[C:7](=[O:39])[C:6]2([CH3:40])[CH3:41]Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-a0104a326ce14745bd1f4b744cc118a9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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