(2RS)-2-(2-t-butylphenoxy)butyric acid → HCID 178458311, compound
Reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[CH:22]1[CH:23]=[C:24]2[CH:25]=[CH:26][CH:27]([CH3:54])[C:28]([CH2:33][CH2:34][CH:35]3[CH2:36][CH:37]([C:46]([CH3:47])([CH3:48])[CH3:49])[CH:38]([O:42][SiH:43]([CH3:44])[CH3:45])[C:39](=[O:41])[O:40]3)([O:50][SiH:51]([CH3:52])[CH3:53])[CH:29]2[CH:30]([OH:32])[CH2:31]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:7][CH:8]([C:9](=[O:10])[OH:11])[CH2:12][CH3:13])[cH:14][cH:15][cH:16][cH:17]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([O:7][CH:8]([C:9]([O:10][CH:30]2[CH:29]3[C:24](=[CH:23][CH:22]([C:18]([CH3:19])([CH3:20])[CH3:21])[CH2:31]2)[CH:25]=[CH:26][CH:27]([CH3:54])[C:28]3([CH2:33][CH2:34][CH:35]2[CH2:36][CH:37]([C:46]([CH3:47])([CH3:48])[CH3:49])[CH:38]([O:42][SiH:43]([CH3:44])[CH3:45])[C:39](=[O:41])[O:40]2)[O:50][SiH:51]([CH3:52])[CH3:53])=[O:11])[CH2:12][CH3:13])[cH:14][cH:15][cH:16][cH:17]1Participants
3
Sources & evidence
- ORD record
- ord-faa1b6313d154f07899e42c62ebecd81
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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