Ethanol → [4-(3,5-Di-tert-butyl-4-methoxy-phenylethynyl)-phenyl]-acetic acid
Reaction equation
[CH3:1][O:2][C:3]([CH2:4][c:5]1[cH:6][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:29].[CH3:32][CH2:33][OH:34].[CH3:36][C:37]#[N:38].[Na+:31].[OH-:30].[OH2:35]>>[O:2]=[C:3]([CH2:4][c:5]1[cH:6][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:29]Participants
7
Sources & evidence
- ORD record
- ord-fd59bc19cd6940d1aeb9c314a4854be7
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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