반응식
[CH:1](=[O:2])[c:3]1[cH:4][c:5]2[cH:6][cH:7][c:8]([C:13](=[O:14])[O:15][CH3:16])[cH:9][c:10]2[cH:11][cH:12]1.[F:17][c:18]1[c:19]([C:25]([CH2:26][n:27]2[n:28][cH:29][n:30][cH:31]2)([CH:32]([CH3:33])[S:34][CH:35]([CH2:36][OH:37])[CH2:38][OH:39])[OH:40])[cH:20][cH:21][c:22]([F:24])[cH:23]1.[O:53]1[CH2:54][CH2:55][CH2:56][CH2:57]1.[OH2:41].[c:42]1([CH3:43])[cH:44][cH:45][c:46]([S:47]([OH:48])(=[O:49])=[O:50])[cH:51][cH:52]1>>[CH:1]1([c:3]2[cH:4][c:5]3[cH:6][cH:7][c:8]([C:13](=[O:14])[O:15][CH3:16])[cH:9][c:10]3[cH:11][cH:12]2)[O:37][CH2:36][CH:35]([S:34][CH:32]([C:25]([c:19]2[c:18]([F:17])[cH:23][c:22]([F:24])[cH:21][cH:20]2)([CH2:26][n:27]2[n:28][cH:29][n:30][cH:31]2)[OH:40])[CH3:33])[CH2:38][O:39]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-3037eaf9e6084d6f8e88079d59d026d9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
연결된 노트
불러오는 중…