Sodium ion → 2-[4-[N-acetyl-N-(3-azidopropyl)amino]-3-fluorophenyl]-5-amino-6,8-difluoro-4H-1-benzopyran-4-one
반응식
[C:1]([CH3:2])(=[O:3])[N:4]([CH2:5][CH2:6][CH2:7][Cl:8])[c:9]1[c:10]([F:29])[cH:11][c:12](-[c:15]2[o:16][c:17]3[c:18]([c:19](=[O:21])[cH:20]2)[c:22]([NH2:28])[c:23]([F:27])[cH:24][c:25]3[F:26])[cH:13][cH:14]1.[CH3:35][N:36]([CH3:37])[CH:38]=[O:39].[N-:31]=[N+:32]=[N-:33].[Na+:30].[OH2:34]>>[C:1]([CH3:2])(=[O:3])[N:4]([CH2:5][CH2:6][CH2:7][N:31]=[N+:32]=[N-:33])[c:9]1[c:10]([F:29])[cH:11][c:12](-[c:15]2[o:16][c:17]3[c:18]([c:19](=[O:21])[cH:20]2)[c:22]([NH2:28])[c:23]([F:27])[cH:24][c:25]3[F:26])[cH:13][cH:14]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-6aed66d715f9493ebf09f6afa7b6b719
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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