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[Br:14][c:15]1[c:16]([CH3:41])[n:17][c:18]([CH2:37][CH2:38][CH2:39][CH3:40])[n:19]([CH2:22][c:23]2[cH:24][cH:25][c:26](-[c:29]3[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]3)[cH:27][cH:28]2)[c:20]1=[O:21].[C:48](=[O:49])([O-:50])[O-:51].[CH2:42]1[O:43][CH2:44][CH2:45][O:46][CH2:47]1.[CH3:54][CH2:55][O:56][C:57](=[O:58])[CH3:59].[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][cH:7][c:8]([B:11]([OH:12])[OH:13])[cH:9][cH:10]1.[Cs+:52].[Cs+:53]>>[CH:1]([CH3:2])([CH3:3])[O:4][c:5]1[cH:6][cH:7][c:8](-[c:15]2[c:16]([CH3:41])[n:17][c:18]([CH2:37][CH2:38][CH2:39][CH3:40])[n:19]([CH2:22][c:23]3[cH:24][cH:25][c:26](-[c:29]4[c:30]([C:35]#[N:36])[cH:31][cH:32][cH:33][cH:34]4)[cH:27][cH:28]3)[c:20]2=[O:21])[cH:9][cH:10]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-838529664bf44c5e80732aa3a7d0e3ff
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…