반응식
[CH3:1][CH2:2][OH:3].[CH3:28][CH2:29][O:30][CH2:31][CH3:32].[CH3:5][O:6][c:7]1[c:8]([O:9][CH2:10][CH2:11][CH2:12][CH2:13][CH2:14][O:15][c:16]2[cH:17][cH:18][c:19]([C:20]#[N:21])[cH:22][cH:23]2)[cH:24][cH:25][cH:26][cH:27]1.[ClH:4]>>[CH3:1][CH2:2][O:3][C:20]([c:19]1[cH:18][cH:17][c:16]([O:15][CH2:14][CH2:13][CH2:12][CH2:11][CH2:10][O:9][c:8]2[c:7]([O:6][CH3:5])[cH:27][cH:26][cH:25][cH:24]2)[cH:23][cH:22]1)=[NH:21].[ClH:4]참가 물질
6
출처 및 근거
- ORD 기록
- ord-8d056ac124d74693b55a5182bbd23627
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…