Sodium ion → 4-Isocyanato-2-(trifluoromethyl)benzonitrile
Reaction equation
[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cl:1][C:2]([Cl:3])([O:4][C:5]([O:6][C:7]([Cl:8])([Cl:9])[Cl:10])=[O:11])[Cl:12].[NH2:15][c:16]1[cH:17][c:18]([C:24]([F:25])([F:26])[F:27])[c:19]([C:20]#[N:21])[cH:22][cH:23]1.[Na+:14].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1.[OH-:13]>>[C:5](=[O:11])=[N:15][c:16]1[cH:17][c:18]([C:24]([F:25])([F:26])[F:27])[c:19]([C:20]#[N:21])[cH:22][cH:23]1Participants
7
Sources & evidence
- ORD record
- ord-869f4b9bbc7f440a9b2f783d9829ec32
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Reaction notes
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