Toluene → 2-Formyl-2,5-dimethyl-hexanoic acid ethyl ester
Reaction equation
[CH2:19]([Al+:20][CH2:21][CH:22]([CH3:23])[CH3:24])[CH:25]([CH3:26])[CH3:27].[CH2:1]([CH3:2])[O:3][C:4]([C:5]([C:6](=[O:7])[O:8][CH2:9][CH3:10])([CH2:11][CH2:12][CH:13]([CH3:14])[CH3:15])[CH3:16])=[O:17].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cl:35][CH2:36][Cl:37].[H-:18]>>[CH2:1]([CH3:2])[O:3][C:4]([C:5]([CH:6]=[O:7])([CH2:11][CH2:12][CH:13]([CH3:14])[CH3:15])[CH3:16])=[O:17]Participants
6
Sources & evidence
- ORD record
- ord-8ef54567f7e346a2a7eba1845eafbd51
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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