Bicarbonate Ion → 3-Isobutyl-4-[1,2,2,2-tetrafluoro-1-(trifluoromethyl)ethyl]aniline
Reaction equation
[C:23](=[O:24])([O-:25])[OH:26].[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][c:7]([NH2:8])[cH:9][cH:10][cH:11]1.[CH2:41]([N+:42]([CH2:43][CH2:44][CH2:45][CH3:46])([CH2:47][CH2:48][CH2:49][CH3:50])[CH2:51][CH2:52][CH2:53][CH3:54])[CH2:55][CH2:56][CH3:57].[CH3:58][CH2:59][CH2:60][CH2:61][CH2:62][CH3:63].[CH3:65][O:66][C:67]([CH3:68])([CH3:69])[CH3:70].[F:12][C:13]([C:14]([C:15]([F:16])([F:17])[F:18])([F:19])[I:20])([F:21])[F:22].[Na+:27].[Na+:34].[Na+:35].[OH2:64].[S:28]([S:29]([O-:30])=[O:31])([O-:32])=[O:33].[S:36]([O-:37])([OH:38])(=[O:39])=[O:40]>>[CH2:1]([CH:2]([CH3:3])[CH3:4])[c:5]1[cH:6][c:7]([NH2:8])[cH:9][cH:10][c:11]1[C:14]([C:13]([F:12])([F:21])[F:22])([C:15]([F:16])([F:17])[F:18])[F:19]Participants
11
Reactant 10
Product 1
Sources & evidence
- ORD record
- ord-f1905845596943dcaecf6b11bf94bc57
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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