8-Methylsulfonyl-12-hydroxy-13,13-dimethyl-10-heptadecynoic acid → 8-Methylsulfonyl-12-hydroxy-13,13-dimethylheptadecanoic acid
Reaktionsgleichung
[CH3:1][S:2]([CH:3]([CH2:4][C:5]#[C:6][CH:7]([OH:8])[CH2:9][CH2:10][CH2:11][CH2:12][CH3:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][C:20]([OH:21])=[O:22])(=[O:23])=[O:24].[CH3:25][S:26](=[O:27])(=[O:28])[CH:29]([CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][C:36](=[O:37])[OH:38])[CH2:39][C:40]#[C:41][CH:42]([C:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH3:48])[CH3:49])[OH:50]>>[CH3:25][S:26](=[O:27])(=[O:28])[CH:29]([CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][C:36](=[O:37])[OH:38])[CH2:39][CH2:40][CH2:41][CH:42]([C:43]([CH2:44][CH2:45][CH2:46][CH3:47])([CH3:48])[CH3:49])[OH:50]Komponenten
3
Quellen und Nachweise
- ORD-Eintrag
- ord-b54d7c0abb644db0ad933df300c90495
- Quelldatensatz
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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