{5-[4-(Trifluoromethyl)phenyl]isoxazol-3-yl}methan-1-ol → {6-[5-(4-Trifluoromethyl-phenyl)-isoxazol-3-ylmethylsulfanyl]-chroman-2-yl}-acetic acid
Reaction equation
[CH2:18]([CH3:19])[O:20][C:21]([CH2:22][CH:23]1[O:24][c:25]2[cH:26][cH:27][c:28]([S:33][CH2:34][c:35]3[n:36][o:37][c:38](-[c:40]4[cH:41][cH:42][c:43]([C:46]([F:47])([F:48])[F:49])[cH:44][cH:45]4)[cH:39]3)[cH:29][c:30]2[CH2:31][CH2:32]1)=[O:50].[F:1][C:2]([F:3])([F:4])[c:5]1[cH:6][cH:7][c:8](-[c:9]2[o:10][n:11][c:12]([CH2:13][OH:14])[cH:15]2)[cH:16][cH:17]1>>[O:20]=[C:21]([CH2:22][CH:23]1[O:24][c:25]2[cH:26][cH:27][c:28]([S:33][CH2:34][c:35]3[n:36][o:37][c:38](-[c:40]4[cH:41][cH:42][c:43]([C:46]([F:47])([F:48])[F:49])[cH:44][cH:45]4)[cH:39]3)[cH:29][c:30]2[CH2:31][CH2:32]1)[OH:50]Participants
3
Sources & evidence
- ORD record
- ord-f1cc5cab808d4f2b825b354ecb329c1d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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