Chloride → 4-[4-(Octyloxy)phenyl]-4-oxobutanoic acid
Reaction equation
[Al+3:24].[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[O:9][c:10]1[cH:11][cH:12][cH:13][cH:14][cH:15]1.[Cl-:23].[Cl-:25].[Cl-:26].[O:16]=[C:17]1[CH2:18][CH2:19][C:20](=[O:21])[O:22]1.[S:27]=[C:28]=[S:29]>>[CH2:1]([CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][CH2:7][CH3:8])[O:9][c:10]1[cH:11][cH:12][c:13]([C:20]([CH2:19][CH2:18][C:17](=[O:16])[OH:22])=[O:21])[cH:14][cH:15]1Participants
6
Sources & evidence
- ORD record
- ord-5ac523cfc53645e2b65bd77dfe56f774
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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