Acetic Acid → Methyl 2-[(3,4-diaminophenyl)carbonyl]benzoate
반응식
[CH3:28][C:29](=[O:30])[OH:31].[NH2:1][c:2]1[c:3]([N+:20]([O-:21])=[O:22])[cH:4][c:5]([C:8](=[O:9])[c:10]2[c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][cH:17][cH:18][cH:19]2)[cH:6][cH:7]1.[OH2:23].[OH2:24].[Sn:25]([Cl:26])[Cl:27]>>[NH2:1][c:2]1[c:3]([NH2:20])[cH:4][c:5]([C:8](=[O:9])[c:10]2[c:11]([C:12](=[O:13])[O:14][CH3:15])[cH:16][cH:17][cH:18][cH:19]2)[cH:6][cH:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-06c2d9dd3e364ce58e1b04b5985a84e6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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