Ethyl Acetate → 2-(4-((4-(3-Aminophenylsulfonyl)piperazin-1-yl)methyl)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Reaction equation
[CH3:36][CH2:37][O:38][C:39](=[O:40])[CH3:41].[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12]([CH2:15][N:16]2[CH2:17][CH2:18][N:19]([S:22](=[O:23])(=[O:24])[c:25]3[cH:26][c:27]([N+:31]([O-:32])=[O:33])[cH:28][cH:29][cH:30]3)[CH2:20][CH2:21]2)[cH:13][cH:14]1)([F:34])[F:35]>>[F:1][C:2]([C:3]([C:4]([F:5])([F:6])[F:7])([OH:8])[c:9]1[cH:10][cH:11][c:12]([CH2:15][N:16]2[CH2:17][CH2:18][N:19]([S:22](=[O:23])(=[O:24])[c:25]3[cH:26][c:27]([NH2:31])[cH:28][cH:29][cH:30]3)[CH2:20][CH2:21]2)[cH:13][cH:14]1)([F:34])[F:35]Participants
3
Sources & evidence
- ORD record
- ord-f84033f8d3724a55b790970e1dac73cb
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaction notes
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