Bicarbonate Ion → 4-((2,2,2-Trifluoroethyl)amino)-2-(trifluoromethyl)benzonitrile
Reaction equation
[C:14]([BH3-:15])#[N:16].[Cl:39][CH2:40][Cl:41].[F:18][C:19]([C:20]([OH:21])=[O:22])([F:23])[F:24].[F:28][C:29]([F:30])([F:31])[CH:32]=[O:33].[H:25][H:26].[NH2:1][c:2]1[cH:3][c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:6]#[N:7])[cH:8][cH:9]1.[Na+:17].[Na+:38].[O-:34][C:35]([OH:36])=[O:37].[OH2:27]>>[NH:1]([c:2]1[cH:3][c:4]([C:10]([F:11])([F:12])[F:13])[c:5]([C:6]#[N:7])[cH:8][cH:9]1)[CH2:20][C:19]([F:18])([F:23])[F:24]Participants
10
Reactant 9
Product 1
Sources & evidence
- ORD record
- ord-8999bdf8314f4fcfb6ba7f9e9509bcba
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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