Acetic Acid → 1,1,2,3,3,5-Hexamethyl-6-nitro-2,3-dihydro-1H-indene
Reaction equation
[CH3:16][C:17](=[O:18])[OH:19].[CH3:1][C:2]1([CH3:15])[CH:3]([CH3:14])[C:4]([CH3:12])([CH3:13])[c:5]2[cH:6][cH:7][c:8]([CH3:11])[cH:9][c:10]21.[OH2:29].[OH:20][N+:21]([O-:22])=[O:23].[S:24](=[O:25])(=[O:26])([OH:27])[OH:28]>>[CH3:1][C:2]1([CH3:15])[CH:3]([CH3:14])[C:4]([CH3:12])([CH3:13])[c:5]2[cH:6][c:7]([N+:21](=[O:20])[O-:22])[c:8]([CH3:11])[cH:9][c:10]21Participants
6
Sources & evidence
- ORD record
- ord-7f58d97df6584171a0c6d841ee02a243
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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