Ethanol → [4-(3,5-Di-tert-butyl-4-methoxy-phenylethynyl)-2-fluoro-phenyl]-acetic Acid
Reaction equation
[CH3:1][O:2][C:3]([CH2:4][c:5]1[c:6]([F:29])[cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]([C:25]([CH3:26])([CH3:27])[CH3:28])[c:16]([O:23][CH3:24])[c:17]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:18]2)[cH:9][cH:10]1)=[O:30].[CH3:33][CH2:34][OH:35].[CH3:37][C:38]#[N:39].[Na+:32].[OH-:31].[OH2:36]>>[O:2]=[C:3]([CH2:4][c:5]1[c:6]([F:29])[cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][c:15]([C:25]([CH3:26])([CH3:27])[CH3:28])[c:16]([O:23][CH3:24])[c:17]([C:19]([CH3:20])([CH3:21])[CH3:22])[cH:18]2)[cH:9][cH:10]1)[OH:30]Participants
7
Sources & evidence
- ORD record
- ord-885e6364af0a4c82bf9fffca8b4878ef
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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