반응식
[CH3:1][c:2]1[c:3]([NH2:19])[cH:4][cH:5][c:6]([N:8]2[CH2:9][CH:10]([N:13]3[CH:14]([CH3:18])[CH2:15][CH2:16][CH2:17]3)[CH2:11][CH2:12]2)[cH:7]1.[CH3:20][O:21][c:22]1[cH:23][c:24]2[c:25]([cH:26][c:27]([C:29](=[O:30])[OH:31])[o:28]2)[cH:32][cH:33]1>>[CH3:1][c:2]1[c:3]([NH:19][C:29]([c:27]2[cH:26][c:25]3[c:24]([cH:23][c:22]([O:21][CH3:20])[cH:33][cH:32]3)[o:28]2)=[O:30])[cH:4][cH:5][c:6]([N:8]2[CH2:9][CH:10]([N:13]3[CH:14]([CH3:18])[CH2:15][CH2:16][CH2:17]3)[CH2:11][CH2:12]2)[cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-089f2e96a65d405692184b401b49114f
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…