반응식
[CH3:24][CH2:25][O:26][CH2:27][CH3:28].[CH3:40][CH2:41][CH2:42][CH2:43][CH3:44].[Na+:23].[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1.[OH-:22].[c:1]1(-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:2]([C:7]([CH3:8])([C:9]#[C:10][CH2:11][N:12]([CH3:13])[CH3:14])[OH:15])[cH:3][cH:4][cH:5][cH:6]1.[cH:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1>>[c:1]1(-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:2]([C:7]([CH3:8])([CH:9]=[C:10]=[CH2:11])[OH:15])[cH:3][cH:4][cH:5][cH:6]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-21129e1ec207477e8edfb131af2a459b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…