Ethyl 2-(5,5,6,6,6-pentafluorohexyl)-9-decenoate → 11-[(3RS,4RS)-3-ethyl-7-hydroxy-3-(4-hydroxyphenyl)chroman-4-yl]-2-(5,5,6,6,6-pentafluorohexyl)undecanoic acid
Reaction equation
[CH2:1]([CH3:2])[C:3]1([c:40]2[cH:41][cH:42][c:43]([OH:46])[cH:44][cH:45]2)[CH2:4][O:5][c:6]2[cH:7][c:8]([OH:39])[cH:9][cH:10][c:11]2[CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH:22]([C:23](=[O:24])[OH:25])[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][CH2:31][C:32]([F:33])([F:34])[C:35]([F:36])([F:37])[F:38].[F:47][C:48]([CH2:49][CH2:50][CH2:51][CH2:52][CH:53]([CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH2:59][CH:60]=[CH2:61])[C:62]([O:63][CH2:64][CH3:65])=[O:66])([C:67]([F:68])([F:69])[F:70])[F:71]>>[CH2:1]([CH3:2])[C:3]1([c:40]2[cH:41][cH:42][c:43]([OH:46])[cH:44][cH:45]2)[CH2:4][O:5][c:6]2[cH:7][c:8]([OH:39])[cH:9][cH:10][c:11]2[CH:12]1[CH2:13][CH2:14][CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20][CH2:21][CH:22]([C:23](=[O:24])[OH:25])[CH2:26][CH2:27][CH2:28][CH2:49][C:48]([F:47])([C:67]([F:68])([F:69])[F:70])[F:71]Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-4c8df41f2d154b7092a00ed9884f5b80
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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