Toluene → Ethyl 2-[2-methyl-4-[[2-[4-(trifluoromethyl)phenyl]-1,3-benzoxazol-4-yl]methylsulfanyl]phenoxy]acetate
Reaction equation
[CH2:1]([P:2]([CH2:3][CH2:4][CH2:5][CH3:6])[CH2:7][CH2:8][CH2:9][CH3:10])[CH2:11][CH2:12][CH3:13].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[CH3:75][CH2:76][O:77][C:78](=[O:79])[CH3:80].[F:32][C:33]([c:34]1[cH:35][cH:36][c:37](-[c:40]2[o:41][c:42]3[c:43]([n:44]2)[c:45]([CH2:49][OH:50])[cH:46][cH:47][cH:48]3)[cH:38][cH:39]1)([F:51])[F:52].[N:14]([C:15]([N:16]1[CH2:17][CH2:18][CH2:19][CH2:20][CH2:21]1)=[O:22])=[N:23][C:24]([N:25]1[CH2:26][CH2:27][CH2:28][CH2:29][CH2:30]1)=[O:31].[SH:53][c:54]1[cH:55][c:56]([CH3:67])[c:57]([O:58][CH2:59][C:60](=[O:61])[O:62][CH2:63][CH3:64])[cH:65][cH:66]1>>[F:32][C:33]([c:34]1[cH:35][cH:36][c:37](-[c:40]2[o:41][c:42]3[c:43]([n:44]2)[c:45]([CH2:49][S:53][c:54]2[cH:55][c:56]([CH3:67])[c:57]([O:58][CH2:59][C:60](=[O:61])[O:62][CH2:63][CH3:64])[cH:65][cH:66]2)[cH:46][cH:47][cH:48]3)[cH:38][cH:39]1)([F:51])[F:52]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-82fc2d88b55140ed88702044733be07d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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