반응식
[C:12]([CH3:13])(=[O:14])[O:15][CH:16]1[CH2:17][CH:18]2[CH2:19][CH2:20][CH:21]3[CH:22]4[CH2:23][CH2:24][C:25](=[O:35])[C:26]4([CH3:27])[CH2:28][CH2:29][CH:30]3[C:31]2([CH3:34])[CH2:32][CH2:33]1.[CH2:1]([B:2]([CH2:3][CH3:10])[c:4]1[cH:5][n:6][cH:7][cH:8][cH:9]1)[CH3:11].[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[Na+:36].[Na+:37].[O-:38][C:39](=[O:40])[O-:41]>>[c:4]1([C:25]2=[CH:24][CH2:23][CH:22]3[CH:21]4[CH2:20][CH2:19][CH:18]5[CH2:17][CH:16]([O:15][C:12]([CH3:13])=[O:14])[CH2:33][CH2:32][C:31]5([CH3:34])[CH:30]4[CH2:29][CH2:28][C:26]32[CH3:27])[cH:5][n:6][cH:7][cH:8][cH:9]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-8921134d95714e2ba63170fcdde081a8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
연결된 노트
불러오는 중…