Water → Methyl 3-[2-methyl-4-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-benzothiazol-5-yl]ethylsulfanyl]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].[CH3:68][c:69]1[cH:70][cH:71][cH:72][cH:73][cH:74]1.[F:32][C:33]([c:34]1[cH:35][cH:36][c:37](-[c:40]2[s:41][c:42]3[c:43]([n:44]2)[cH:45][c:46]([CH2:49][CH2:50][OH:51])[cH:47][cH:48]3)[cH:38][cH:39]1)([F:52])[F:53].[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].[OH2:75].[SH:54][c:55]1[cH:56][c:57]([CH3:67])[c:58]([CH2:61][CH2:62][C:63](=[O:64])[O:65][CH3:66])[cH:59][cH:60]1>>[F:32][C:33]([c:34]1[cH:35][cH:36][c:37](-[c:40]2[s:41][c:42]3[c:43]([n:44]2)[cH:45][c:46]([CH2:49][CH2:50][S:54][c:55]2[cH:56][c:57]([CH3:67])[c:58]([CH2:61][CH2:62][C:63](=[O:64])[O:65][CH3:66])[cH:59][cH:60]2)[cH:47][cH:48]3)[cH:38][cH:39]1)([F:52])[F:53]Participants
7
Reactant 6
Product 1
Sources & evidence
- ORD record
- ord-2210e20f30dc4aa3b63f7cccffcde806
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaction notes
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