반응식
[C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])([O:34][c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)=[O:35].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]3[cH:14][cH:15][c:16]([N:22]([CH:23]=[O:24])[CH3:25])[cH:17][c:18]3[nH:19][c:20]2[cH:21]1.[CH2:42]1[O:43][CH2:44][CH2:45][CH2:46]1.[H-:27].[Na+:26]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][c:9]1[cH:10][cH:11][c:12]2[c:13]3[cH:14][cH:15][c:16]([N:22]([CH:23]=[O:24])[CH3:25])[cH:17][c:18]3[n:19]([C:28]([O:29][C:30]([CH3:31])([CH3:32])[CH3:33])=[O:34])[c:20]2[cH:21]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-431262f8923b4cadb0a398c789a9601c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…