반응식
[CH3:1][C:2]1([CH3:3])[CH2:4][CH:5]=[C:6]([c:7]2[s:8][cH:9][cH:10][cH:11]2)[c:12]2[cH:13][c:14]([CH:15]=[CH:16][c:17]3[cH:18][cH:19][c:20]([C:21]([O:22][CH2:23][CH3:24])=[O:25])[cH:26][cH:27]3)[cH:28][cH:29][c:30]21.[CH3:31][C:32]1([CH3:58])[c:33]2[cH:34][cH:35][c:36]([CH:45]=[CH:46][c:47]3[cH:48][cH:49][c:50]([C:51](=[O:52])[O:53][CH2:54][CH3:55])[cH:56][cH:57]3)[cH:37][c:38]2[C:39]([S:42][CH2:43][CH3:44])=[CH:40][CH2:41]1>>[CH3:31][C:32]1([CH3:58])[c:33]2[cH:34][cH:35][c:36]([CH:45]=[CH:46][c:47]3[cH:48][cH:49][c:50]([C:51](=[O:52])[OH:53])[cH:56][cH:57]3)[cH:37][c:38]2[C:39]([S:42][CH2:43][CH3:44])=[CH:40][CH2:41]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-003ea19f94ec41ae9cd7f58087e6f703
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…