Acetic Acid → 1-Isobutyl-4-[2-(3,3,4,4-tetramethylcyclopent-1-enyl)phenyl]piperazine
Reaction equation
[C:27]([O:28][BH-:29]([O:30][C:31](=[O:32])[CH3:33])[O:34][C:35](=[O:36])[CH3:37])(=[O:38])[CH3:39].[CH3:1][C:2]1([CH3:21])[CH:3]=[C:4]([c:9]2[c:10]([N:15]3[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]3)[cH:11][cH:12][cH:13][cH:14]2)[CH2:5][C:6]1([CH3:7])[CH3:8].[CH3:41][C:42](=[O:43])[OH:44].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH:22]([CH:23]([CH3:24])[CH3:25])=[O:26].[Na+:40].[Na+:45].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1.[OH:46][C:47](=[O:48])[O-:49]>>[CH3:1][C:2]1([CH3:21])[CH:3]=[C:4]([c:9]2[c:10]([N:15]3[CH2:16][CH2:17][N:18]([CH2:22][CH:23]([CH3:24])[CH3:25])[CH2:19][CH2:20]3)[cH:11][cH:12][cH:13][cH:14]2)[CH2:5][C:6]1([CH3:7])[CH3:8]Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-e8af69eb6c8e44fdb2369770bff884ae
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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