Bicarbonate Ion → 1-[[2-(Fluoromethyl)cyclopropyl]methyl]-4-[2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
Reaction equation
[CH2:29]([N:30]([S:31]([F:32])([F:33])[F:35])[CH2:34][CH3:36])[CH3:37].[CH3:1][C:2]1([CH3:28])[CH2:3][CH:4]([c:10]2[c:11]([N:16]3[CH2:17][CH2:18][N:19]([CH2:22][CH:23]4[CH:24]([CH2:26][OH:27])[CH2:25]4)[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.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl:49][CH2:50][Cl:51].[Na+:38].[OH2:52].[OH:39][C:40](=[O:41])[O-:42]>>[CH3:1][C:2]1([CH3:28])[CH2:3][CH:4]([c:10]2[c:11]([N:16]3[CH2:17][CH2:18][N:19]([CH2:22][CH:23]4[CH:24]([CH2:26][F:35])[CH2:25]4)[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
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-99845e3abd354b5f8f977766c2997cef
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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