Ethanol → 4,7,7-Trimethylbicyclo[4.1.0]hept-4-en-3-one
Reaction equation
[CH3:37][CH2:38][OH:39].[CH:1]12[CH2:2][C:3]([CH3:10])=[CH:4][CH2:5][CH:6]1[C:7]2([CH3:8])[CH3:9].[CH:20]12[C:21]([CH3:22])([CH3:23])[CH:24]1[CH2:25][C:26](=[N:27][OH:28])[C:29]([CH3:30])=[CH:31]2.[N:11](=[O:12])[Cl:13].[Na+:14].[Na+:15].[Na+:36].[O-:16][C:17](=[O:18])[O-:19].[S:32](=[O:33])([OH:34])[O-:35]>>[CH:1]12[CH:2]=[C:3]([CH3:10])[C:4](=[O:12])[CH2:5][CH:6]1[C:7]2([CH3:8])[CH3:9]Participants
8
Sources & evidence
- ORD record
- ord-4d6a08a181494674a162bf5d7628ecdc
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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