반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:15])[cH:7][cH:8][c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1.[CH2:16]1[N:17]2[CH2:18][N:19]3[CH2:20][N:21]([CH2:22]2)[CH2:23][N:24]1[CH2:25]3.[CH3:31][C:32]([OH:33])=[O:34].[S:26](=[O:27])(=[O:28])([OH:29])[OH:30]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[c:6]([OH:15])[c:7]([CH:32]=[O:33])[cH:8][c:9]([C:11]([CH3:12])([CH3:13])[CH3:14])[cH:10]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-cf86f5fc286248c18c88a0edc4c1a479
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…