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[Br:25][N:26]1[C:27](=[O:28])[CH2:29][CH2:30][C:31]1=[O:32].[C:33]([Cl:34])([Cl:35])([Cl:36])[Cl:37].[CH3:13][O:14][c:15]1[c:16]([N+:22](=[O:23])[O-:24])[n:17][c:18]([CH3:21])[cH:19][cH:20]1.[N:1]([C:2]([CH3:3])([CH3:4])[C:5]#[N:6])=[N:7][C:8]([CH3:9])([CH3:10])[C:11]#[N:12]>>[CH3:13][O:14][c:15]1[c:16]([N+:22](=[O:23])[O-:24])[n:17][c:18]([CH2:21][Br:25])[cH:19][cH:20]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-beb6e699901a4d9eb2c05d8f4f5a28f5
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
연결된 노트
불러오는 중…