4-(trifluoromethyl)pyrimidine-5-carboxylic Acid → Methyl 2-[[1-(4-methylsulfonylbutyl)cyclobutanecarbothioyl]amino]-3-[4-[[4-(trifluoromethyl)pyrimidine-5-carbonyl]amino]phenyl]propanoate
Reaction equation
[CH3:14][O:15][C:16]([CH:17]([NH:18][C:19](=[S:20])[C:21]1([CH2:25][CH2:26][CH2:27][CH2:28][S:29](=[O:30])(=[O:31])[CH3:32])[CH2:22][CH2:23][CH2:24]1)[CH2:33][c:34]1[cH:35][cH:36][c:37]([NH2:40])[cH:38][cH:39]1)=[O:41].[CH3:42][O:43][C:44](=[O:45])[CH:46]([CH2:47][c:48]1[cH:49][cH:50][c:51]([NH:52][C:53]([c:54]2[cH:55][n:56][c:57]([C:58]([F:59])([F:60])[F:61])[n:62][cH:63]2)=[O:64])[cH:65][cH:66]1)[NH:67][C:68]([C:69]1([CH2:70][CH2:71][CH2:72][CH2:73][S:74]([CH3:75])(=[O:76])=[O:77])[CH2:78][CH2:79][CH2:80]1)=[S:81].[F:1][C:2]([c:3]1[n:4][cH:5][n:6][cH:7][c:8]1[C:9](=[O:10])[OH:11])([F:12])[F:13]>>[F:1][C:2]([c:3]1[n:4][cH:5][n:6][cH:7][c:8]1[C:9](=[O:11])[NH:40][c:37]1[cH:36][cH:35][c:34]([CH2:33][CH:17]([C:16]([O:15][CH3:14])=[O:41])[NH:18][C:19](=[S:20])[C:21]2([CH2:25][CH2:26][CH2:27][CH2:28][S:29](=[O:30])(=[O:31])[CH3:32])[CH2:22][CH2:23][CH2:24]2)[cH:39][cH:38]1)([F:12])[F:13]Participants
4
Reactant 3
Product 1
Sources & evidence
- ORD record
- ord-c6c6815420774aa99a2f9cee226f1c20
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
Reaction notes
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