Ammonia → Bicyclo[4.2.0]octa-1,3,5,7-tetraene-7-carbonitrile
Reaction equation
[Cl:3][c:4]1[c:5]([CH2:10][CH2:11][C:12]#[N:13])[cH:6][cH:7][cH:8][cH:9]1.[Fe+3:23].[N+:19]([O-:20])([O-:21])=[O:22].[N+:24]([O-:25])([O-:26])=[O:27].[N+:28]([O-:29])([O-:30])=[O:31].[NH3:1].[NH4+:14].[Na:2].[O-:15][N+:16](=[O:17])[O-:18]>>[c:4]12[c:5]([cH:6][cH:7][cH:8][cH:9]1)[CH:10]=[C:11]2[C:12]#[N:13]Participants
7
Sources & evidence
- ORD record
- ord-05af4f9e948340d7b10be4b35aaf2a90
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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