Ethyl 4-[(7,8-dihydro-5,8,8-trimethylnaphth-3-yl)ethynyl]benzoate → 4-[(5,8,8-Trimethyl-7,8-dihydronaphth-3-yl)ethynyl]benzoic acid
Reaction equation
[CH3:1][C:2]1([CH3:27])[CH2:3][CH:4]=[C:5]([C:23]([CH3:24])([CH3:25])[CH3:26])[c:6]2[cH:7][c:8]([C:12]#[C:13][c:14]3[cH:15][cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]3)[cH:9][cH:10][c:11]21.[CH3:28][C:29]1=[CH:53][CH2:52][C:49]([CH3:50])([CH3:51])[c:48]2[c:30]1[cH:31][c:32]([C:33]#[C:34][c:35]1[cH:36][cH:37][c:38]([C:39]([O:40][CH2:41][CH3:42])=[O:43])[cH:44][cH:45]1)[cH:46][cH:47]2>>[CH3:1][C:2]1([CH3:27])[CH2:3][CH:4]=[C:5]([CH3:23])[c:6]2[cH:7][c:8]([C:12]#[C:13][c:14]3[cH:15][cH:16][c:17]([C:18](=[O:19])[OH:20])[cH:21][cH:22]3)[cH:9][cH:10][c:11]21Participants
3
Sources & evidence
- ORD record
- ord-d64a9d3117fa45c8a24283ef169cb538
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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