Bicarbonate Ion → [4-[3-[4-(3-Ethyl-3-hydroxypent-1-enyl)-3-methylphenyl]pentan-3-yl]-2,6-dimethylphenyl] trifluoromethanesulfonate
Reaction equation
[C:54](=[O:55])([OH:56])[O-:57].[CH2:25]([CH3:26])[C:27]([CH2:28][CH3:29])([c:30]1[cH:31][c:32]([CH3:44])[c:33]([CH:36]=[CH:37][C:38]([CH2:39][CH3:40])([OH:41])[CH2:42][CH3:43])[cH:34][cH:35]1)[c:45]1[cH:46][c:47]([CH3:53])[c:48]([OH:52])[c:49]([CH3:51])[cH:50]1.[CH:1]([N:2]([CH:3]([CH3:4])[CH3:5])[CH2:6][CH3:7])([CH3:8])[CH3:9].[Cl:59][CH2:60][Cl:61].[F:10][C:11]([F:12])([F:13])[S:14](=[O:15])(=[O:16])[O:17][S:18]([C:19]([F:20])([F:21])[F:22])(=[O:23])=[O:24].[Na+:58]>>[F:10][C:11]([F:12])([F:13])[S:14](=[O:15])(=[O:16])[O:17][c:48]1[c:47]([CH3:53])[cH:46][c:45]([C:27]([CH2:25][CH3:26])([CH2:28][CH3:29])[c:30]2[cH:31][c:32]([CH3:44])[c:33]([CH:36]=[CH:37][C:38]([CH2:39][CH3:40])([OH:41])[CH2:42][CH3:43])[cH:34][cH:35]2)[cH:50][c:49]1[CH3:51]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-ec8ca7a6236c4379b1c09e93f434838f
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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