반응식
[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[cH:7][c:8]([N:12]2[CH2:13][CH:14]3[CH:15]([CH2:16]2)[CH2:17][N:18]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:19]3)[cH:9][n:10][cH:11]1.[CH3:29][CH2:30][OH:31].[CH3:33][CH2:34][O:35][C:36](=[O:37])[CH3:38].[Na+:28].[OH-:27].[OH2:32]>>[O:3]=[C:4]([OH:5])[c:6]1[cH:7][c:8]([N:12]2[CH2:13][CH:14]3[CH:15]([CH2:16]2)[CH2:17][N:18]([C:20](=[O:21])[O:22][C:23]([CH3:24])([CH3:25])[CH3:26])[CH2:19]3)[cH:9][n:10][cH:11]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-8aa0bada85fa4d868c510c4674413193
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…