Water → Methyl 3-(methylsulfonamido)-5-nitrobenzoate
반응식
[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([NH2:13])[cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1)=[O:14].[CH3:21][S:22](=[O:23])(=[O:24])[Cl:25].[Cl:27][CH2:28][Cl:29].[OH2:26].[cH:15]1[cH:16][cH:17][n:18][cH:19][cH:20]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([NH:13][S:22]([CH3:21])(=[O:23])=[O:24])[cH:7][c:8]([N+:10](=[O:11])[O-:12])[cH:9]1)=[O:14]참가 물질
6
출처 및 근거
- ORD 기록
- ord-282aaa1df7144654a850871b5eea9f46
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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