반응식
[CH3:1][NH:2][CH:3]1[CH2:4][CH2:5][N:6]([c:9]2[s:10][cH:11][cH:12][n:13]2)[CH2:7][CH2:8]1.[CH3:25][C:26]#[N:27].[c:14]1([C:20]#[C:21][C:22](=[O:23])[OH:24])[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[CH3:1][N:2]([CH:3]1[CH2:4][CH2:5][N:6]([c:9]2[s:10][cH:11][cH:12][n:13]2)[CH2:7][CH2:8]1)[C:22]([C:21]#[C:20][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)=[O:23]참가 물질
4
출처 및 근거
- ORD 기록
- ord-976430d0c7e24a22ad31601b90fe2ac0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…