Sodium ion → 4-{4-[4-(3,3-Dimethyl-butyl)-piperazin-1-yl]-butoxy}-3-fluoro-benzoic acid
Reaction equation
[CH2:4]([CH3:5])[O:6][C:7]([c:8]1[cH:9][c:10]([F:31])[c:11]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][N:19]2[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:23][CH2:24]2)[cH:12][cH:13]1)=[O:32].[Na+:2].[O:33]1[CH2:34][CH2:35][O:36][CH2:37][CH2:38]1.[OH-:1].[OH2:3]>>[O:6]=[C:7]([c:8]1[cH:9][c:10]([F:31])[c:11]([O:14][CH2:15][CH2:16][CH2:17][CH2:18][N:19]2[CH2:20][CH2:21][N:22]([CH2:25][CH2:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:23][CH2:24]2)[cH:12][cH:13]1)[OH:32]Participants
6
Sources & evidence
- ORD record
- ord-7bf84aac71864fca9f86dadf5710a519
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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