Acetic Acid → [4-(3-Cyclohexyl-3-oxoprop-1-enyl)-1,2,3,3a,4,5,6,6a-octahydropentalen-1-yl] acetate
Reaction equation
[C:36]([CH3:37])(=[O:38])[O:39][CH:40]1[CH:41]2[CH2:42][CH2:43][CH:44]([CH:48]=[O:49])[CH:45]2[CH2:46][CH2:47]1.[CH2:18]1[O:19][CH2:20][CH2:21][O:22][CH2:23][CH2:24][O:25][CH2:26][CH2:27][O:28][CH2:29][CH2:30][O:31][CH2:32][CH2:33][O:34][CH2:35]1.[CH3:1][O:2][P:3](=[O:4])([O:5][CH3:6])[CH2:7][C:8](=[O:9])[CH:10]1[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[CH3:55][CH2:56][O:57][CH2:58][CH3:59].[CH3:60][C:61](=[O:62])[OH:63].[H-:16].[Na+:17].[O:50]1[CH2:51][CH2:52][CH2:53][CH2:54]1>>[CH:7]([C:8](=[O:9])[CH:10]1[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1)=[CH:48][CH:44]1[CH2:43][CH2:42][CH:41]2[CH:40]([O:39][C:36]([CH3:37])=[O:38])[CH2:47][CH2:46][CH:45]21Participants
9
Reactant 8
Product 1
Sources & evidence
- ORD record
- ord-85fe94db6a1142b9a942a73ac3365994
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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