Acetic Acid → 1,3(2H,4H)-Isoquinolinedione, 4,4-dimethyl-2-(2-(methylsulfinyl)ethyl)-
Reaction equation
[CH3:26][C:27](=[O:28])[OH:29].[CH3:3][C:4]1([CH3:20])[C:5](=[O:19])[N:6]([CH2:15][CH2:16][S:17][CH3:18])[C:7](=[O:14])[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]21.[O-:22][C:23](=[O:24])[O-:25].[OH2:21].[OH:1][OH:2]>>[CH3:3][C:4]1([CH3:20])[C:5](=[O:19])[N:6]([CH2:15][CH2:16][S:17]([CH3:18])=[O:22])[C:7](=[O:14])[c:8]2[cH:9][cH:10][cH:11][cH:12][c:13]21Participants
6
Sources & evidence
- ORD record
- ord-384bae6dbef3468ab4eb9deb4f627a7c
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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