2-(2-METHYLPHENOXY)PROPANOIC ACID → HCID 178424397, compound
Reaction equation
[C:14]([CH3:15])([CH3:16])([CH3:17])[CH:18]1[CH:19]=[C:20]2[CH:21]=[CH:22][CH:23]([CH3:50])[C:24]([CH2:29][CH2:30][CH:31]3[CH2:32][CH:33]([C:42]([CH3:43])([CH3:44])[CH3:45])[CH:34]([O:38][SiH:39]([CH3:40])[CH3:41])[C:35](=[O:37])[O:36]3)([O:46][SiH:47]([CH3:48])[CH3:49])[CH:25]2[CH:26]([OH:28])[CH2:27]1.[CH3:1][c:2]1[c:3]([O:4][CH:5]([C:6](=[O:7])[OH:8])[CH3:9])[cH:10][cH:11][cH:12][cH:13]1>>[CH3:1][c:2]1[c:3]([O:4][CH:5]([C:6]([O:7][CH:26]2[CH:25]3[C:20](=[CH:19][CH:18]([C:14]([CH3:15])([CH3:16])[CH3:17])[CH2:27]2)[CH:21]=[CH:22][CH:23]([CH3:50])[C:24]3([CH2:29][CH2:30][CH:31]2[CH2:32][CH:33]([C:42]([CH3:43])([CH3:44])[CH3:45])[CH:34]([O:38][SiH:39]([CH3:40])[CH3:41])[C:35](=[O:37])[O:36]2)[O:46][SiH:47]([CH3:48])[CH3:49])=[O:8])[CH3:9])[cH:10][cH:11][cH:12][cH:13]1Participants
3
Sources & evidence
- ORD record
- ord-00acd34526f048ec9251a479edd86909
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
Reaction notes
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