Water → 2-Amino-4-methyl-3,5-dinitrobenzonitrile
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[CH3:24][C:25]#[N:26].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[NH2:6])[cH:7][c:8]([N+:15](=[O:16])[O-:17])[c:9]([CH3:14])[c:10]1[N+:11](=[O:12])[O-:13].[OH2:23].[P:18]([Cl:19])([Cl:20])([Cl:21])=[O:22]>>[NH2:1][c:2]1[c:3]([C:4]#[N:6])[cH:7][c:8]([N+:15](=[O:16])[O-:17])[c:9]([CH3:14])[c:10]1[N+:11](=[O:12])[O-:13]참가 물질
5
출처 및 근거
- ORD 기록
- ord-063e30400a2144b5974d585dabeb7a41
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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