Acetic Acid → 1-Butyl-4-[4-nitro-2-(3,3,5,5-tetramethylcyclohex-1-enyl)phenyl]piperazine
Reaction equation
[C:31]([O:32][BH-:33]([O:34][C:35](=[O:36])[CH3:37])[O:38][C:39](=[O:40])[CH3:41])(=[O:42])[CH3:43].[CH3:45][C:46](=[O:47])[OH:48].[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH:26]([CH2:27][CH2:28][CH3:29])=[O:30].[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([C:16]2=[CH:17][C:18]([CH3:24])([CH3:25])[CH2:19][C:20]([CH3:22])([CH3:23])[CH2:21]2)[c:7]([N:10]2[CH2:11][CH2:12][NH:13][CH2:14][CH2:15]2)[cH:8][cH:9]1.[Na+:44].[O:49]1[CH2:50][CH2:51][CH2:52][CH2:53]1.[OH2:60]>>[N+:1](=[O:2])([O-:3])[c:4]1[cH:5][c:6]([C:16]2=[CH:17][C:18]([CH3:24])([CH3:25])[CH2:19][C:20]([CH3:22])([CH3:23])[CH2:21]2)[c:7]([N:10]2[CH2:11][CH2:12][N:13]([CH2:26][CH2:27][CH2:28][CH3:29])[CH2:14][CH2:15]2)[cH:8][cH:9]1Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-fa70b401a0d444bda0a301fb59395b64
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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