(2RS)-2-(2-ethylphenoxy)butyric acid → HCID 178436116, compound
Reaction equation
[C:16]([CH3:17])([CH3:18])([CH3:19])[CH:20]1[CH:21]=[C:22]2[CH:23]=[CH:24][CH:25]([CH3:52])[C:26]([CH2:31][CH2:32][CH:33]3[CH2:34][CH:35]([C:44]([CH3:45])([CH3:46])[CH3:47])[CH:36]([O:40][SiH:41]([CH3:42])[CH3:43])[C:37](=[O:39])[O:38]3)([O:48][SiH:49]([CH3:50])[CH3:51])[CH:27]2[CH:28]([OH:30])[CH2:29]1.[CH2:1]([CH3:2])[c:3]1[c:4]([O:5][CH:6]([C:7](=[O:8])[OH:9])[CH2:10][CH3:11])[cH:12][cH:13][cH:14][cH:15]1>>[CH2:1]([CH3:2])[c:3]1[c:4]([O:5][CH:6]([C:7]([O:8][CH:28]2[CH:27]3[C:22](=[CH:21][CH:20]([C:16]([CH3:17])([CH3:18])[CH3:19])[CH2:29]2)[CH:23]=[CH:24][CH:25]([CH3:52])[C:26]3([CH2:31][CH2:32][CH:33]2[CH2:34][CH:35]([C:44]([CH3:45])([CH3:46])[CH3:47])[CH:36]([O:40][SiH:41]([CH3:42])[CH3:43])[C:37](=[O:39])[O:38]2)[O:48][SiH:49]([CH3:50])[CH3:51])=[O:9])[CH2:10][CH3:11])[cH:12][cH:13][cH:14][cH:15]1Participants
3
Sources & evidence
- ORD record
- ord-f2d614d5cb9244f3b3ef8f3e9d8650ee
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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