Acetic Acid → 4-Ethoxy-6-hydroxy-1,1-dioxo-1,2-benzothiazol-3-one
반응식
[CH3:22][C:23](=[O:24])[OH:25].[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]([O:19][CH2:20][CH3:21])[cH:15][c:16]([OH:18])[cH:17]1>>[S:2]1(=[O:3])(=[O:4])[c:5]2[c:6]([c:14]([O:19][CH2:20][CH3:21])[cH:15][c:16]([OH:18])[cH:17]2)[C:7](=[O:8])[NH:9]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-b5a70a3a4d7b4f50840873b712ec750f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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