Acetic Acid → 4-Sec-butyl-6-methoxysaccharin
반응식
[CH3:24][C:25](=[O:26])[OH:27].[NH2:1][S:2](=[O:3])(=[O:4])[c:5]1[c:6]([C:7](=[O:8])[N:9]([CH2:10][CH3:11])[CH2:12][CH3:13])[c:14]([CH:20]([CH3:21])[CH2:22][CH3:23])[cH:15][c:16]([O:18][CH3:19])[cH:17]1>>[S:2]1(=[O:3])(=[O:4])[c:5]2[c:6]([c:14]([CH:20]([CH3:21])[CH2:22][CH3:23])[cH:15][c:16]([O:18][CH3:19])[cH:17]2)[C:7](=[O:8])[NH:9]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-922072e0dc85422c8568ab549213a3ac
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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