Hydrochloric Acid → 2-(2-Nitro-phenylamino)-5-trifluoromethyl-benzonitrile
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[C:1](=[O:2])([O-:3])[O-:4].[ClH:30].[Cs+:5].[Cs+:6].[F:17][c:18]1[c:19]([C:20]#[N:21])[cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]1.[N+:7](=[O:8])([O-:9])[c:10]1[c:11]([NH2:12])[cH:13][cH:14][cH:15][cH:16]1.[O:31]=[CH:32][N:33]([CH3:34])[CH3:35]>>[N+:7](=[O:8])([O-:9])[c:10]1[c:11]([NH:12][c:18]2[c:19]([C:20]#[N:21])[cH:22][c:23]([C:26]([F:27])([F:28])[F:29])[cH:24][cH:25]2)[cH:13][cH:14][cH:15][cH:16]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-7b0f9b2fd5114259aa2dca9090c1690c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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