Sodium ion → 4-[Methyl-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)amino]-3-nitrobenzonitrile
Reaction equation
[H-:2].[N+:3](=[O:4])([O-:5])[c:6]1[cH:7][c:8]([C:9]#[N:10])[cH:11][cH:12][c:13]1[NH:14][c:15]1[cH:16][c:17]2[c:22]([cH:23][cH:24]1)[C:21]([CH3:25])([CH3:26])[CH2:20][CH2:19][C:18]2([CH3:27])[CH3:28].[Na+:1].[O:29]=[CH:30][N:31]([CH3:32])[CH3:33].[OH2:34]>>[N+:3](=[O:4])([O-:5])[c:6]1[cH:7][c:8]([C:9]#[N:10])[cH:11][cH:12][c:13]1[N:14]([c:15]1[cH:16][c:17]2[c:22]([cH:23][cH:24]1)[C:21]([CH3:25])([CH3:26])[CH2:20][CH2:19][C:18]2([CH3:27])[CH3:28])[CH3:30]Participants
6
Sources & evidence
- ORD record
- ord-cb63e639ad51447b88d37ba9a7f30a32
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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