반응식
[C:1]([CH3:2])(=[O:3])[c:4]1[cH:5][c:6]([C:7]#[N:8])[cH:9][cH:10][cH:11]1.[CH2:13]([c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1)[O:20][NH2:21].[CH3:28][OH:29].[ClH:12].[cH:22]1[cH:23][cH:24][n:25][cH:26][cH:27]1>>[C:1]([CH3:2])([c:4]1[cH:5][c:6]([C:7]#[N:8])[cH:9][cH:10][cH:11]1)=[N:21][O:20][CH2:13][c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-b47ea5ebd6bf4229887151ba939d044a
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…