Acetonitrile → 4,4,5-Trimethyl-2-(2-nitro-4-methylsulfonylbenzoyl)cyclohexane-1,3-dione
Reaction equation
[CH2:38]([Cl:39])[Cl:40].[CH3:12][CH2:13][N:14]([CH2:15][CH3:16])[CH2:17][CH3:18].[CH3:1][C:2]1([CH3:11])[C:3](=[O:10])[CH2:4][C:5](=[O:9])[CH2:6][CH:7]1[CH3:8].[CH3:41][C:42]#[N:43].[K:35][C:36]#[N:37].[N+:19](=[O:20])([O-:21])[c:22]1[c:23]([C:24](=[O:25])[Cl:26])[cH:27][cH:28][c:29]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:30]1>>[CH3:1][C:2]1([CH3:11])[C:3](=[O:10])[CH:4]([C:24]([c:23]2[c:22]([N+:19](=[O:20])[O-:21])[cH:30][c:29]([S:31](=[O:32])(=[O:33])[CH3:34])[cH:28][cH:27]2)=[O:25])[C:5](=[O:9])[CH2:6][CH:7]1[CH3:8]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-c13e51f5489c470ca2fbf18842e50575
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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