반응식
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]([OH:17])[c:12]([CH:13]=[O:14])[cH:15][cH:16]1.[CH2:26]=[CH:27][C:28]#[N:29].[N:18]12[CH2:19][CH2:20][N:21]([CH2:22][CH2:23]1)[CH2:24][CH2:25]2>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][c:11]2[c:12]([cH:15][cH:16]1)[CH:13]=[C:27]([C:28]#[N:29])[CH2:26][O:17]2참가 물질
4
출처 및 근거
- ORD 기록
- ord-e4a0852ca65a45178c363697989e39f9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…