반응식
[CH3:26][CH2:27][OH:28].[CH:15]([CH3:16])([CH3:17])[c:18]1[cH:19][c:20]([NH2:21])[cH:22][cH:23][cH:24]1.[Cl:1][c:2]1[c:3]([C:13]#[N:14])[cH:4][n:5][c:6]2[cH:7][n:8][c:9]([F:12])[cH:10][c:11]12.[OH2:25]>>[c:2]1([NH:21][c:20]2[cH:19][c:18]([CH:15]([CH3:16])[CH3:17])[cH:24][cH:23][cH:22]2)[c:3]([C:13]#[N:14])[cH:4][n:5][c:6]2[cH:7][n:8][c:9]([F:12])[cH:10][c:11]12참가 물질
5
출처 및 근거
- ORD 기록
- ord-637e417e28194c5e9c56963df22ba173
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…