Sodium ion → Butanoic acid, 2-[2,4-bis(1,1-dimethylpropyl)phenoxy]-
Reaction equation
[C:1]([CH3:2])([CH3:3])([CH2:4][CH3:5])[c:6]1[c:7]([O:8][CH:9]([C:10](=[O:11])[O:12][CH2:13][CH3:14])[CH2:15][CH3:16])[cH:17][cH:18][c:19]([C:21]([CH3:22])([CH3:23])[CH2:24][CH3:25])[cH:20]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Na+:27].[OH-:26].[OH2:33].[S:28](=[O:29])(=[O:30])([OH:31])[OH:32]>>[C:1]([CH3:2])([CH3:3])([CH2:4][CH3:5])[c:6]1[c:7]([O:8][CH:9]([C:10](=[O:11])[OH:12])[CH2:15][CH3:16])[cH:17][cH:18][c:19]([C:21]([CH3:22])([CH3:23])[CH2:24][CH3:25])[cH:20]1Participants
7
Sources & evidence
- ORD record
- ord-3d19e6218def4a539c29fed2196de96b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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