Water → Methyl 3-[2-methyl-4-[1-[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-6-yl]propylsulfanyl]phenyl]propanoate
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].[CH3:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[F:14][C:15]([c:16]1[cH:17][cH:18][c:19](-[c:22]2[s:23][c:24]3[c:25]([n:26]2)[cH:27][cH:28][c:29]([CH:31]([CH2:32][CH3:33])[OH:34])[cH:30]3)[cH:20][cH:21]1)([F:35])[F:36].[N:51]([C:52]([N:53]1[CH2:54][CH2:55][CH2:56][CH2:57][CH2:58]1)=[O:59])=[N:60][C:61]([N:62]1[CH2:63][CH2:64][CH2:65][CH2:66][CH2:67]1)=[O:68].[O:76]=[CH:77][N:78]([CH3:79])[CH3:80].[OH2:81].[SH:37][c:38]1[cH:39][c:40]([CH3:50])[c:41]([CH2:44][CH2:45][C:46](=[O:47])[O:48][CH3:49])[cH:42][cH:43]1>>[F:14][C:15]([c:16]1[cH:17][cH:18][c:19](-[c:22]2[s:23][c:24]3[c:25]([n:26]2)[cH:27][cH:28][c:29]([CH:31]([CH2:32][CH3:33])[S:37][c:38]2[cH:39][c:40]([CH3:50])[c:41]([CH2:44][CH2:45][C:46](=[O:47])[O:48][CH3:49])[cH:42][cH:43]2)[cH:30]3)[cH:20][cH:21]1)([F:35])[F:36]Participants
8
Reactant 7
Product 1
Sources & evidence
- ORD record
- ord-e0281ff2d38c47eab364bb22b220da48
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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