Water → 4-Methyl-3,5-dinitrobenzonitrile
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[CH3:23][C:24]#[N:25].[CH3:6][c:7]1[c:8]([N+:19](=[O:20])[O-:21])[cH:9][c:10]([C:11](=[O:12])[NH2:13])[cH:14][c:15]1[N+:16](=[O:17])[O-:18].[OH2:22].[P:1]([Cl:2])([Cl:3])([Cl:4])=[O:5]>>[CH3:6][c:7]1[c:8]([N+:19](=[O:20])[O-:21])[cH:9][c:10]([C:11]#[N:13])[cH:14][c:15]1[N+:16](=[O:17])[O-:18]참가 물질
5
출처 및 근거
- ORD 기록
- ord-fcca5c7b1bd049ecb18c33e027b046dc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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