Isopropanol → 3,3-Dimethyl-4-[(1-methyl)ethyl]oxycarbonyl-1,2,3,4-tetrahydroquinoxalin-2-one
Reaction equation
[CH3:17][C:18]1([CH3:19])[NH:20][c:21]2[c:22]([cH:23][cH:24][cH:25][cH:26]2)[NH:27][C:28]1=[O:29].[CH3:44][CH:45]([O-:46])[CH3:47].[CH3:49][CH:50]([OH:51])[CH3:52].[Cl:1][C:2](=[O:3])[N:4]1[C:5]([CH3:15])([CH3:16])[C:6](=[O:14])[NH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]21.[F:30][c:31]1[cH:32][c:33]2[c:34]([cH:35][cH:36]1)[NH:37][C:38](=[O:39])[C:40]([CH3:41])([CH3:42])[NH:43]2.[Li+:48]>>[C:2](=[O:3])([N:4]1[C:5]([CH3:15])([CH3:16])[C:6](=[O:14])[NH:7][c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]21)[O:46][CH:45]([CH3:44])[CH3:47]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-6d0c2aada9ee414d91b7918809df3bfb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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