Cyclohexanone → HCID 21691879, compound
Reaction equation
[CH:14]([N-:15][CH:16]([CH3:17])[CH3:18])([CH3:19])[CH3:20].[Li+:21].[O:22]=[C:23]1[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]1.[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1.[nH:1]1[c:2]([CH2:6][c:7]2[cH:8][cH:9][c:10]([C:12]#[N:13])[s:11]2)[n:3][cH:4][cH:5]1>>[n:1]1[c:2]([C:6]([c:7]2[cH:8][cH:9][c:10]([C:12]#[N:13])[s:11]2)=[C:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[nH:3][cH:4][cH:5]1Participants
6
Sources & evidence
- ORD record
- ord-6b37acfe665c4a33ac9155eb0b71d379
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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