Dimethylformamide → 4-{5-[1-[4-(2,4-Bis-trifluoromethyl-benzyloxy)-3-methoxy-phenyl]-methylidene]-4-oxo-4,5-dihydro-thiazol-2-yl}-piperazine-1-carbothioic acid (4-methoxy-phenyl)-amide
Reaction equation
[CH3:54][C:55]#[N:56].[F:1][C:2]([c:3]1[c:4]([CH2:5][O:6][c:7]2[c:8]([O:26][CH3:27])[cH:9][c:10]([CH:13]=[C:14]3[C:15](=[O:25])[N:16]=[C:17]([N:19]4[CH2:20][CH2:21][NH:22][CH2:23][CH2:24]4)[S:18]3)[cH:11][cH:12]2)[cH:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1)([F:36])[F:37].[O:38]=[CH:39][N:40]([CH3:41])[CH3:42].[O:43]([CH3:44])[c:45]1[cH:46][cH:47][c:48]([N:51]=[C:52]=[S:53])[cH:49][cH:50]1>>[F:1][C:2]([c:3]1[c:4]([CH2:5][O:6][c:7]2[c:8]([O:26][CH3:27])[cH:9][c:10]([CH:13]=[C:14]3[C:15](=[O:25])[N:16]=[C:17]([N:19]4[CH2:20][CH2:21][N:22]([C:52]([NH:51][c:48]5[cH:47][cH:46][c:45]([O:43][CH3:44])[cH:50][cH:49]5)=[S:53])[CH2:23][CH2:24]4)[S:18]3)[cH:11][cH:12]2)[cH:28][cH:29][c:30]([C:32]([F:33])([F:34])[F:35])[cH:31]1)([F:36])[F:37]Participants
5
Reactant 4
Product 1
Sources & evidence
- ORD record
- ord-6ac8df1caaf94e389b7df41a83cac29d
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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