Bicarbonate Ion → 1-[4-Methyl-2-(3,3,5,5-tetramethylcyclohexyl)phenyl]piperazine
Reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:21]3[CH2:22][C:23]([CH3:29])([CH3:30])[CH2:24][C:25]([CH3:27])([CH3:28])[CH2:26]3)[cH:16][c:17]([CH3:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:38][CH2:39][Cl:40].[Na+:41].[OH:31][C:32]([C:33]([F:34])([F:35])[F:36])=[O:37].[OH:42][C:43](=[O:44])[O-:45]>>[NH:8]1[CH2:9][CH2:10][N:11]([c:14]2[c:15]([CH:21]3[CH2:22][C:23]([CH3:29])([CH3:30])[CH2:24][C:25]([CH3:27])([CH3:28])[CH2:26]3)[cH:16][c:17]([CH3:20])[cH:18][cH:19]2)[CH2:12][CH2:13]1Participants
7
Sources & evidence
- ORD record
- ord-08ed526c5f3041f185605305fe527df4
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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