Acetic Acid → 9-Methyl-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
반응식
[C:22]([OH:23])(=[O:24])[CH3:25].[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[S:10][CH2:9][CH2:8][C:7]2=[O:12].[N-:13]=[N+:14]=[N-:15].[Na+:16].[S:17](=[O:18])(=[O:19])([OH:20])[OH:21]>>[CH3:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[c:11]1[S:10][CH2:9][CH2:8][C:7](=[O:12])[NH:13]2참가 물질
6
출처 및 근거
- ORD 기록
- ord-1948342359f34a17b0e167303261c8c6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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