반응식
[CH3:15][CH2:16][N:17]([CH2:18][CH3:19])[CH2:20][CH3:21].[CH3:27][C:28]#[N:29].[N:1]#[C:2][Cl:3].[Na+:26].[O-:22][C:23]([OH:24])=[O:25].[s:4]1[cH:5][c:6]([CH2:9][n:10]2[cH:11][n:12][cH:13][cH:14]2)[cH:7][cH:8]1>>[N:1]#[C:2][c:11]1[n:10]([CH2:9][c:6]2[cH:5][s:4][cH:8][cH:7]2)[cH:14][cH:13][n:12]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-63a47c3b5ecb450cbe23794b5b41fede
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…