Water → 4-Methyl-3,5-dinitrobenzonitrile
Reaction equation
[CH3:6][c:7]1[c:8]([N+:19](=[O:20])[O-:21])[cH:9][c:10]([C:11]([OH:12])=[O:13])[cH:14][c:15]1[N+:16](=[O:17])[O-:18].[NH2:22][S:23](=[O:24])(=[O:25])[NH2:26].[OH2:27].[P:1]([Cl:2])([Cl:3])([Cl:4])=[O:5].[S:28]1(=[O:33])(=[O:34])[CH2:29][CH2:30][CH2:31][CH2:32]1>>[CH3:6][c:7]1[c:8]([N+:19](=[O:20])[O-:21])[cH:9][c:10]([C:11]#[N:22])[cH:14][c:15]1[N+:16](=[O:17])[O-:18]Participants
6
Sources & evidence
- ORD record
- ord-04cdc4c6171f42a28fa3e36bb54451fd
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
Reaction notes
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