Ammonium → 4-Methyl-3,5-dinitrobenzonitrile
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[CH3:26][C:27]#[N:28].[CH3:7][c:8]1[c:9]([N+:20](=[O:21])[O-:22])[cH:10][c:11]([C:12](=[O:13])[NH2:14])[cH:15][c:16]1[N+:17](=[O:18])[O-:19].[Cl:1][P:2]([Cl:3])([Cl:4])([Cl:5])[Cl:6].[NH4+:24].[OH-:25].[OH2:23]>>[CH3:7][c:8]1[c:9]([N+:20](=[O:21])[O-:22])[cH:10][c:11]([C:12]#[N:14])[cH:15][c:16]1[N+:17](=[O:18])[O-:19]참가 물질
7
출처 및 근거
- ORD 기록
- ord-0eba939d39674bb5b029bf063d92f534
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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