반응식
[CH3:15][C:16]#[N:17].[CH3:1][C:2]1([CH3:14])[O:3][B:4]([c:9]2[cH:10][n:11][nH:12][cH:13]2)[O:5][C:6]1([CH3:7])[CH3:8].[CH:18]1([CH:21]=[CH:22][C:23]#[N:24])[CH2:19][CH2:20]1.[N:25]12[CH2:26][CH2:27][CH2:28][N:29]=[C:30]1[CH2:31][CH2:32][CH2:33][CH2:34][CH2:35]2>>[CH3:1][C:2]1([CH3:14])[O:3][B:4]([c:9]2[cH:10][n:11][n:12]([CH:21]([CH:18]3[CH2:19][CH2:20]3)[CH2:22][C:23]#[N:24])[cH:13]2)[O:5][C:6]1([CH3:7])[CH3:8]참가 물질
5
출처 및 근거
- ORD 기록
- ord-ac99974051ea4d9fa963c1d81710705b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
연결된 노트
불러오는 중…