Toluene → 2,2-Dimethyl-3-[3-oxo-3-(2,2,2-trichloroethoxy)prop-1-ynyl]cyclopropane-1-carboxylic acid
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6](=[O:7])[CH:8]1[C:9]([CH3:21])([CH3:22])[CH:10]1[C:11]#[C:12][C:13](=[O:14])[O:15][CH2:16][C:17]([Cl:18])([Cl:19])[Cl:20].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[c:23]1([CH3:24])[cH:25][cH:26][c:27]([S:28]([OH:29])(=[O:30])=[O:31])[cH:32][cH:33]1>>[O:5]=[C:6]([OH:7])[CH:8]1[C:9]([CH3:21])([CH3:22])[CH:10]1[C:11]#[C:12][C:13](=[O:14])[O:15][CH2:16][C:17]([Cl:18])([Cl:19])[Cl:20]Participants
4
Sources & evidence
- ORD record
- ord-156d202b23f14b0483dc4b87738c8dcb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaction notes
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