10-[(3RS,4RS)-3-ethyl-7-hydroxy-3-(4-hydroxyphenyl)thiochroman-4-yl]-2-(7,7,8,8,8-pentafluoro-octyl)decanoic acid → 10-[(3RS,4RS)-3-ethyl-7-hydroxy-3-(4-hydroxyphenyl)thiochroman-4-yl]-2-(6,6,7,7,7-pentafluoroheptyl)decanoic acid
Reaction equation
[CH2:1]([CH3:2])[C:3]1([c:39]2[cH:40][cH:41][c:42]([OH:45])[cH:43][cH:44]2)[CH2:4][S:5][c:6]2[cH:7][c:8]([OH:38])[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][CH:21]([C:22](=[O:23])[OH:24])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][CH2:30][C:31]([F:32])([F:33])[C:34]([F:35])([F:36])[F:37].[F:46][C:47]([CH2:48][CH2:49][CH2:50][CH2:51][CH2:52][CH:53]([CH2:54][CH2:55][CH2:56][CH2:57][CH2:58][CH:59]=[CH2:60])[C:61]([O:62][CH2:63][CH3:64])=[O:65])([C:66]([F:67])([F:68])[F:69])[F:70]>>[CH2:1]([CH3:2])[C:3]1([c:39]2[cH:40][cH:41][c:42]([OH:45])[cH:43][cH:44]2)[CH2:4][S:5][c:6]2[cH:7][c:8]([OH:38])[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][CH:21]([C:22](=[O:23])[OH:24])[CH2:25][CH2:26][CH2:27][CH2:28][CH2:29][C:47]([F:46])([C:66]([F:67])([F:68])[F:69])[F:70]Participants
3
Reactant 2
Product 1
Sources & evidence
- ORD record
- ord-c41d0badc4b54011bfbc73335c3e3c46
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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