2-(3-methylphenoxy)butanoic acid → HCID 178458346, compound
Reaction equation
[C:15]([CH3:16])([CH3:17])([CH3:18])[CH:19]1[CH:20]=[C:21]2[CH:22]=[CH:23][CH:24]([CH3:51])[C:25]([CH2:30][CH2:31][CH:32]3[CH2:33][CH:34]([C:43]([CH3:44])([CH3:45])[CH3:46])[CH:35]([O:39][SiH:40]([CH3:41])[CH3:42])[C:36](=[O:38])[O:37]3)([O:47][SiH:48]([CH3:49])[CH3:50])[CH:26]2[CH:27]([OH:29])[CH2:28]1.[CH3:1][c:2]1[cH:3][c:4]([O:5][CH:6]([C:7](=[O:8])[OH:9])[CH2:10][CH3:11])[cH:12][cH:13][cH:14]1>>[CH3:1][c:2]1[cH:3][c:4]([O:5][CH:6]([C:7]([O:8][CH:27]2[CH:26]3[C:21](=[CH:20][CH:19]([C:15]([CH3:16])([CH3:17])[CH3:18])[CH2:28]2)[CH:22]=[CH:23][CH:24]([CH3:51])[C:25]3([CH2:30][CH2:31][CH:32]2[CH2:33][CH:34]([C:43]([CH3:44])([CH3:45])[CH3:46])[CH:35]([O:39][SiH:40]([CH3:41])[CH3:42])[C:36](=[O:38])[O:37]2)[O:47][SiH:48]([CH3:49])[CH3:50])=[O:9])[CH2:10][CH3:11])[cH:12][cH:13][cH:14]1Participants
3
Sources & evidence
- ORD record
- ord-a3db3053f3a24b29a7c50c22ab143d7a
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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