Trifluoroacetic acid → (2-Isobutoxy-5-methanesulfonyl-phenyl)-[4-(5-trifluoromethyl-[1,3,4]thiadiazol-2-yl)-piperazin-1-yl]-methanone
Reaction equation
[CH2:1]([CH:2]([CH3:3])[CH3:4])[O:5][c:6]1[c:7]([C:8](=[O:9])[OH:10])[cH:11][c:12]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:13][cH:14]1.[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]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[O:5][c:6]1[c:7]([C:8](=[O:10])[N:36]2[CH2:35][CH2:34][N:33]([c:31]3[n:30][n:29][c:28]([C:27]([F:26])([F:39])[F:40])[s:32]3)[CH2:38][CH2:37]2)[cH:11][c:12]([S:15](=[O:16])(=[O:17])[CH3:18])[cH:13][cH:14]1Participants
4
Sources & evidence
- ORD record
- ord-2b9a139c31a3448897eb7082d161699b
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
Reaction notes
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