Acetonitrile → 1-(5,5-Dimethyl-8-nitro-2,3,4,5-tetrahydrobenzo[b]azepin-1-yl)ethanone
Reaction equation
[CH3:17][C:18](=[O:19])[O:20][C:21](=[O:22])[CH3:23].[CH3:1][C:2]1([CH3:16])[c:3]2[c:4]([cH:9][c:10]([N+:13](=[O:14])[O-:15])[cH:11][cH:12]2)[NH:5][CH2:6][CH2:7][CH2:8]1.[CH3:24][C:25]#[N:26]>>[CH3:1][C:2]1([CH3:16])[c:3]2[c:4]([cH:9][c:10]([N+:13](=[O:14])[O-:15])[cH:11][cH:12]2)[N:5]([C:18]([CH3:17])=[O:19])[CH2:6][CH2:7][CH2:8]1Participants
4
Sources & evidence
- ORD record
- ord-393383fe7f334e809142c80fdf305c1b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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