Sodium ion → 4-{2-[4-(3,3-Dimethyl-butyl)-piperazin-1-yl]-ethoxy}-3-methyl-benzoic Acid
Reaction equation
[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([CH3:25])[c:7]([O:10][CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:17][CH2:18]2)[cH:8][cH:9]1)=[O:26].[Na+:28].[O:29]1[CH2:30][CH2:31][O:32][CH2:33][CH2:34]1.[OH-:27]>>[O:2]=[C:3]([c:4]1[cH:5][c:6]([CH3:25])[c:7]([O:10][CH2:11][CH2:12][N:13]2[CH2:14][CH2:15][N:16]([CH2:19][CH2:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:17][CH2:18]2)[cH:8][cH:9]1)[OH:26]Participants
5
Sources & evidence
- ORD record
- ord-1da82c2fd37a484d961d15e056e8933d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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