Nitrogen → 5-[N,N-bis(2-chloroethyl)amino]-2,4-dinitrobenzonitrile
Reaction equation
[Cl:1][CH2:2][CH2:3][N:4]([CH2:5][CH2:6][Cl:7])[c:8]1[c:9]([N+:20](=[O:21])[O-:22])[cH:10][c:11]([N+:17](=[O:18])[O-:19])[c:12]([C:13](=[O:14])[NH2:15])[cH:16]1.[N:27]#[N:28].[S:23]([Cl:24])([Cl:25])=[O:26]>>[Cl:1][CH2:2][CH2:3][N:4]([CH2:5][CH2:6][Cl:7])[c:8]1[c:9]([N+:20](=[O:21])[O-:22])[cH:10][c:11]([N+:17](=[O:18])[O-:19])[c:12]([C:13]#[N:15])[cH:16]1Participants
4
Sources & evidence
- ORD record
- ord-41d5eb0dafc74b5c8cce931a70ae26d0
- Source dataset
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaction notes
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