(2RS)-2-(2,4-dimethylphenoxy)butyric acid → HCID 178458345, 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.[CH3:1][c:2]1[c:3]([O:4][CH:5]([C:6](=[O:7])[OH:8])[CH2:9][CH3:10])[cH:11][cH:12][c:13]([CH3:15])[cH:14]1>>[CH3:1][c:2]1[c:3]([O:4][CH:5]([C:6]([O:7][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:8])[CH2:9][CH3:10])[cH:11][cH:12][c:13]([CH3:15])[cH:14]1Participants
3
Sources & evidence
- ORD record
- ord-45a12e537fbd4c7390c9563533097160
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
Loading…