Acetic Acid → 4-Isopropylsaccharin
반응식
[CH3:21][C:22](=[O:23])[OH:24].[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:18]([CH3:19])[CH3:20])[cH:15][cH:16][cH:17]1>>[S:2]1(=[O:3])(=[O:4])[c:5]2[c:6]([c:14]([CH:18]([CH3:19])[CH3:20])[cH:15][cH:16][cH:17]2)[C:7](=[O:8])[NH:9]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-ac1db21bd2094015bb0e786205fa2760
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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