Ethanol → 2-(4-(4-((4-Amino-3-fluorophenyl)sulfonyl)-1-piperazinyl)phenyl)-1,1,1,3,3,3-hexafluoro-2-propanol
Reaction equation
[CH3:36][CH2:37][OH:38].[F:1][c:2]1[cH:3][c:4]([S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][CH2:16][N:17]([c:20]3[cH:21][cH:22][c:23]([C:26]([C:27]([F:28])([F:29])[F:30])([C:31]([F:32])([F:33])[F:34])[OH:35])[cH:24][cH:25]3)[CH2:18][CH2:19]2)[cH:5][cH:6][c:7]1[N+:8]([O-:9])=[O:10]>>[F:1][c:2]1[cH:3][c:4]([S:11](=[O:12])(=[O:13])[N:14]2[CH2:15][CH2:16][N:17]([c:20]3[cH:21][cH:22][c:23]([C:26]([C:27]([F:28])([F:29])[F:30])([C:31]([F:32])([F:33])[F:34])[OH:35])[cH:24][cH:25]3)[CH2:18][CH2:19]2)[cH:5][cH:6][c:7]1[NH2:8]Participants
3
Sources & evidence
- ORD record
- ord-6adc6b55841d46eba374cde562d0785e
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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