Acetic Acid → 1-Butyl-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
Reaction equation
[C:28]([O:29][BH-:30]([O:31][C:32](=[O:33])[CH3:34])[O:35][C:36](=[O:37])[CH3:38])(=[O:39])[CH3:40].[CH3:1][C:2]1([CH3:22])[CH2:3][CH:4]([c:10]2[c:11]([N:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[cH:12][cH:13][cH:14][cH:15]2)[CH2:5][C:6]([CH3:8])([CH3:9])[CH2:7]1.[CH3:42][C:43](=[O:44])[OH:45].[CH:23]([CH2:24][CH2:25][CH3:26])=[O:27].[Na+:41].[Na+:46].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1.[OH:47][C:48](=[O:49])[O-:50]>>[CH3:1][C:2]1([CH3:22])[CH2:3][CH:4]([c:10]2[c:11]([N:16]3[CH2:17][CH2:18][N:19]([CH2:23][CH2:24][CH2:25][CH3:26])[CH2:20][CH2:21]3)[cH:12][cH:13][cH:14][cH:15]2)[CH2:5][C:6]([CH3:8])([CH3:9])[CH2:7]1Participants
8
Sources & evidence
- ORD record
- ord-d632dda006f24be8aa2d2105ff41c345
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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