Acetic Acid → 1-[3-Fluoro-2-(3,3,5,5-tetramethylcyclohex-1-enyl)phenyl]-4-(tetrahydropyran-4-ylmethyl)piperazine
Reaction equation
[C:32]([O:33][BH-:34]([O:35][C:36](=[O:37])[CH3:38])[O:39][C:40](=[O:41])[CH3:42])(=[O:43])[CH3:44].[CH3:46][C:47](=[O:48])[OH:49].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[F:1][c:2]1[c:3]([C:14]2=[CH:15][C:16]([CH3:22])([CH3:23])[CH2:17][C:18]([CH3:20])([CH3:21])[CH2:19]2)[c:4]([N:8]2[CH2:9][CH2:10][NH:11][CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1.[Na+:45].[Na+:50].[O:24]1[CH2:25][CH2:26][CH:27]([CH:30]=[O:31])[CH2:28][CH2:29]1.[O:62]1[CH2:63][CH2:64][CH2:65][CH2:66]1.[OH2:61].[OH:51][C:52](=[O:53])[O-:54]>>[F:1][c:2]1[c:3]([C:14]2=[CH:15][C:16]([CH3:22])([CH3:23])[CH2:17][C:18]([CH3:20])([CH3:21])[CH2:19]2)[c:4]([N:8]2[CH2:9][CH2:10][N:11]([CH2:30][CH:27]3[CH2:26][CH2:25][O:24][CH2:29][CH2:28]3)[CH2:12][CH2:13]2)[cH:5][cH:6][cH:7]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-2cc6b4cca10b4cbd90afc558f470efc9
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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