Sodium Ion → 9-chloro-8-fluoro-4-methyl-3,4-dihydro-1,4-benzoxazepin-5(2H)-one
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[Cl:3][c:4]1[c:5]([F:18])[c:6]([C:7](=[O:8])[N:9]([CH3:10])[CH2:11][CH2:12][OH:13])[cH:14][cH:15][c:16]1[F:17].[H-:1].[Na+:2].[O:20]=[CH:21][N:22]([CH3:23])[CH3:24].[OH2:19]>>[Cl:3][c:4]1[c:5]2[c:6]([cH:14][cH:15][c:16]1[F:17])[C:7](=[O:8])[N:9]([CH3:10])[CH2:11][CH2:12][O:13]2참가 물질
6
출처 및 근거
- ORD 기록
- ord-c00c257ded454e64a80114242387c9ff
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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