Trifluoroacetic acid → Ethyl 2-[4-[4-[[3-(3-butylsulfinyl-4-hydroxyphenoxy)-2-hydroxypropyl]amino]cyclohexyl]phenoxy]-2-methylpropanoate
Reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[c:10]([S:42](=[O:43])[CH2:44][CH2:45][CH2:46][CH3:47])[cH:11][c:12]([O:13][CH2:14][CH:15]([CH2:16][NH:17][CH:18]2[CH2:19][CH2:20][CH:21]([c:24]3[cH:25][cH:26][c:27]([O:28][C:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])([CH3:35])[CH3:36])[cH:37][cH:38]3)[CH2:22][CH2:23]2)[OH:39])[cH:40][cH:41]1.[OH:48][C:49]([C:50]([F:51])([F:52])[F:53])=[O:54]>>[OH:8][c:9]1[c:10]([S:42](=[O:43])[CH2:44][CH2:45][CH2:46][CH3:47])[cH:11][c:12]([O:13][CH2:14][CH:15]([CH2:16][NH:17][CH:18]2[CH2:19][CH2:20][CH:21]([c:24]3[cH:25][cH:26][c:27]([O:28][C:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])([CH3:35])[CH3:36])[cH:37][cH:38]3)[CH2:22][CH2:23]2)[OH:39])[cH:40][cH:41]1Participants
3
Sources & evidence
- ORD record
- ord-285ecde2eaee422fb79bad73bad380cb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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