Acetic Acid → 1-(Ethynyl)-2-(4-fluoro-3-methylphenyl)-4,4,6,6-tetramethyl-1-cyclohexene
Reaction equation
[CH2:47]1[O:48][CH2:49][CH2:50][CH2:51]1.[CH3:1][Si:2]([CH3:3])([CH3:4])[C:5]#[C:6][C:7]1=[C:8]([c:17]2[cH:18][c:19]([CH3:24])[c:20]([F:23])[cH:21][cH:22]2)[CH2:9][C:10]([CH3:15])([CH3:16])[CH2:11][C:12]1([CH3:13])[CH3:14].[CH3:25][C:26](=[O:27])[OH:28].[CH3:30][CH2:31][CH2:32][CH2:33][N+:34]([CH2:35][CH2:36][CH2:37][CH3:38])([CH2:39][CH2:40][CH2:41][CH3:42])[CH2:43][CH2:44][CH2:45][CH3:46].[F-:29]>>[CH:5]#[C:6][C:7]1=[C:8]([c:17]2[cH:18][c:19]([CH3:24])[c:20]([F:23])[cH:21][cH:22]2)[CH2:9][C:10]([CH3:15])([CH3:16])[CH2:11][C:12]1([CH3:13])[CH3:14]Participants
6
Sources & evidence
- ORD record
- ord-4cce89fa87b9451e8047d0c7797e611e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
Reaction notes
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