Acetic Acid → 1-Cyclopropylmethyl-4-[4-pyridin-2-yl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
Reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[CH3:48][C:49](=[O:50])[OH:51].[CH3:57][CH2:58][O:59][C:60](=[O:61])[CH3:62].[CH:29]1([CH:32]=[O:33])[CH2:30][CH2:31]1.[Na+:47].[Na+:52].[O:64]1[CH2:65][CH2:66][CH2:67][CH2:68]1.[OH2:63].[OH:53][C:54](=[O:55])[O-:56].[n:1]1[c:2](-[c:7]2[cH:8][c:9]([CH:19]3[CH2:20][C:21]([CH3:27])([CH3:28])[CH2:22][C:23]([CH3:25])([CH3:26])[CH2:24]3)[c:10]([N:13]3[CH2:14][CH2:15][NH:16][CH2:17][CH2:18]3)[cH:11][cH:12]2)[cH:3][cH:4][cH:5][cH:6]1>>[n:1]1[c:2](-[c:7]2[cH:8][c:9]([CH:19]3[CH2:20][C:21]([CH3:27])([CH3:28])[CH2:22][C:23]([CH3:25])([CH3:26])[CH2:24]3)[c:10]([N:13]3[CH2:14][CH2:15][N:16]([CH2:32][CH:29]4[CH2:30][CH2:31]4)[CH2:17][CH2:18]3)[cH:11][cH:12]2)[cH:3][cH:4][cH:5][cH:6]1Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-4f83b0936dac43c89ee9bf4c95b923eb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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