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[Br:10][c:11]1[cH:12][c:13]([CH2:17][CH2:18][CH2:19][NH:20][C:21]([C:22]([F:23])([F:24])[F:25])=[O:26])[cH:14][cH:15][cH:16]1.[CH3:1][C:2]([C:3]#[CH:4])([C:5]([CH3:6])([CH3:7])[CH3:8])[OH:9].[CH3:32][CH2:33][N:34]([CH2:35][CH3:36])[CH2:37][CH3:38].[O:27]=[CH:28][N:29]([CH3:30])[CH3:31]>>[CH3:1][C:2]([C:3]#[C:4][c:11]1[cH:12][c:13]([CH2:17][CH2:18][CH2:19][NH:20][C:21]([C:22]([F:23])([F:24])[F:25])=[O:26])[cH:14][cH:15][cH:16]1)([C:5]([CH3:6])([CH3:7])[CH3:8])[OH:9]참가 물질
5
출처 및 근거
- ORD 기록
- ord-6c6870165be440d19e9ad5807b721bf1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
연결된 노트
불러오는 중…