Trifluoroacetic acid → (2-Morpholin-4-yl-5-nitro-phenyl)-[4-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-piperazin-1-yl]-methanone
Reaction equation
[F:19][C:20]([F:21])([F:22])[C:23]([OH:24])=[O:25].[F:26][C:27]([c:28]1[n:29][n:30][c:31]([N:33]2[CH2:34][CH2:35][NH:36][CH2:37][CH2:38]2)[s:32]1)([F:39])[F:40].[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[c:8]([C:9](=[O:10])[OH:11])[cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]2)[CH2:5][CH2:6]1>>[O:1]1[CH2:2][CH2:3][N:4]([c:7]2[c:8]([C:9](=[O:11])[N:36]3[CH2:35][CH2:34][N:33]([c:31]4[n:30][n:29][c:28]([C:27]([F:26])([F:39])[F:40])[s:32]4)[CH2:38][CH2:37]3)[cH:12][c:13]([N+:16](=[O:17])[O-:18])[cH:14][cH:15]2)[CH2:5][CH2:6]1Participants
4
Sources & evidence
- ORD record
- ord-fac5ad50afa249e8adc425c361a690a0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)