Acetic Acid → 1-[2-(4,4-Dimethylcyclohex-1-enyl)-5-methoxyphenyl]-4-pentylpiperazine
Reaction equation
[C:29]([O:30][BH-:31]([O:32][C:33](=[O:34])[CH3:35])[O:36][C:37](=[O:38])[CH3:39])(=[O:40])[CH3:41].[CH3:1][C:2]1([CH3:22])[CH2:3][CH:4]=[C:5]([c:8]2[c:9]([N:16]3[CH2:17][CH2:18][NH:19][CH2:20][CH2:21]3)[cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]2)[CH2:6][CH2:7]1.[CH3:43][C:44](=[O:45])[OH:46].[CH:23]([CH2:24][CH2:25][CH2:26][CH3:27])=[O:28].[Na+:42].[Na+:47].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1.[OH:48][C:49](=[O:50])[O-:51]>>[CH3:1][C:2]1([CH3:22])[CH2:3][CH:4]=[C:5]([c:8]2[c:9]([N:16]3[CH2:17][CH2:18][N:19]([CH2:23][CH2:24][CH2:25][CH2:26][CH3:27])[CH2:20][CH2:21]3)[cH:10][c:11]([O:14][CH3:15])[cH:12][cH:13]2)[CH2:6][CH2:7]1Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-f8591b9fc2d64d21ac6a811bd625392a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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