Water → 3-(4-Methylphenyl)aniline
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[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([N+:14]([O-:15])=[O:16])[cH:11][cH:12][cH:13]2)[cH:6][cH:7]1.[CH:20]([OH:21])([CH3:22])[CH3:23].[Cl:24][Fe:25]([Cl:26])[Cl:27].[NH2:18][NH2:19].[OH2:17]>>[CH3:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[cH:9][c:10]([NH2:14])[cH:11][cH:12][cH:13]2)[cH:6][cH:7]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-b90ca4339a4d4a6c94df4c8e7aca7e3f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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