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[Br:1][CH2:2][CH2:3][n:4]1[cH:5][n:6][c:7]2[c:8]([C:26]#[N:27])[n:9][c:10](-[c:13]3[cH:14][c:15]([C:22]([F:23])([F:24])[F:25])[c:16]([O:19][CH2:20][CH3:21])[cH:17][cH:18]3)[cH:11][c:12]12.[CH2:28]1[CH2:29][O:30][CH2:31][CH2:32][NH:33]1.[CH3:39][OH:40].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38]>>[CH2:2]([CH2:3][n:4]1[cH:5][n:6][c:7]2[c:8]([C:26]#[N:27])[n:9][c:10](-[c:13]3[cH:14][c:15]([C:22]([F:23])([F:24])[F:25])[c:16]([O:19][CH2:20][CH3:21])[cH:17][cH:18]3)[cH:11][c:12]12)[N:33]1[CH2:28][CH2:29][O:30][CH2:31][CH2:32]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-d88d9e782a5a44db844908d6723b9463
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
연결된 노트
불러오는 중…