Ammonia → 2-Isopropyl-4-nitro-benzonitrile
Reaction equation
[C-:21]#[N:22].[CH3:27][CH2:28][O:29][C:30](=[O:31])[CH3:32].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([NH2:13])[cH:6][cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1.[ClH:25].[Cu:18][C:19]#[N:20].[N:14]([O-:15])=[O:16].[NH3:24].[Na+:17].[Na+:23].[OH2:26]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([C:19]#[N:20])[cH:6][cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1Participants
10
Sources & evidence
- ORD record
- ord-c115694a85294e1c8589a3d0202ab80f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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