Sodium ion → 1-[2-[4-[3-(4-Hydroxy-3-methylphenyl)pentan-3-yl]-2-methylphenyl]ethenyl]cycloheptan-1-ol
Reaction equation
[CH2:15]([CH3:16])[C:17]([CH2:18][CH3:19])([c:20]1[cH:21][c:22]([CH3:27])[c:23]([OH:26])[cH:24][cH:25]1)[c:28]1[cH:29][c:30]([CH3:44])[c:31]([C:34]#[C:35][C:36]2([OH:43])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[cH:32][cH:33]1.[CH3:2][O:3][CH2:4][CH2:5][O:6][Al+:7][O:8][CH2:9][CH2:10][O:11][CH3:12].[CH3:45][CH2:46][O:47][C:48](=[O:49])[CH3:50].[H-:14].[H-:1].[Na+:13].[O:51]1[CH2:52][CH2:53][CH2:54][CH2:55]1>>[CH2:15]([CH3:16])[C:17]([CH2:18][CH3:19])([c:20]1[cH:21][c:22]([CH3:27])[c:23]([OH:26])[cH:24][cH:25]1)[c:28]1[cH:29][c:30]([CH3:44])[c:31]([CH:34]=[CH:35][C:36]2([OH:43])[CH2:37][CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]2)[cH:32][cH:33]1Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-9554f3df3c69498b9bab2f01272b3648
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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