Isopropanol → 1,3(2H,4H)-Isoquinolinedione, 4,4-dimethyl-2-(2-(methylthio)ethyl)-
Reaction equation
[CH3:1][C:2]1([CH3:14])[C:3](=[O:13])[NH:4][C:5](=[O:12])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21.[CH:21]([OH:22])([CH3:23])[CH3:24].[Cl:15][CH2:16][CH2:17][S:18][CH3:19].[Na:20]>>[CH3:1][C:2]1([CH3:14])[C:3](=[O:13])[N:4]([CH2:16][CH2:17][S:18][CH3:19])[C:5](=[O:12])[c:6]2[cH:7][cH:8][cH:9][cH:10][c:11]21Participants
5
Sources & evidence
- ORD record
- ord-7b60a998157f482ebc7f5c71474a5c09
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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