Hydroxide → 4-{3-[4-(3,3-Dimethyl-butyl)-piperazin-1-yl]-3-oxo-propyl}-3-methyl-benzoic Acid
Reaction equation
[CH2:31]1[O:32][CH2:33][CH2:34][CH2:35]1.[CH3:4][O:5][C:6]([c:7]1[cH:8][c:9]([CH3:29])[c:10]([CH2:13][CH2:14][C:15](=[O:16])[N:17]2[CH2:18][CH2:19][N:20]([CH2:23][CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:21][CH2:22]2)[cH:11][cH:12]1)=[O:30].[Li+:3].[OH-:2].[OH2:1].[OH2:36]>>[O:5]=[C:6]([c:7]1[cH:8][c:9]([CH3:29])[c:10]([CH2:13][CH2:14][C:15](=[O:16])[N:17]2[CH2:18][CH2:19][N:20]([CH2:23][CH2:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:21][CH2:22]2)[cH:11][cH:12]1)[OH:30]Participants
6
Sources & evidence
- ORD record
- ord-c117949ac92648ce86fed5038d30b027
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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