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[C:40]([CH3:41])([CH3:42])([CH3:43])[O:44][C:45]([N:46]([CH3:47])[CH2:48][CH2:49][OH:50])=[O:51].[CH2:52]1[O:53][CH2:54][CH2:55][CH2:56]1.[F:20][c:21]1[c:22]([S:27](=[O:28])(=[O:29])[n:30]2[cH:31][cH:32][c:33]3[c:34]([OH:39])[cH:35][cH:36][cH:37][c:38]23)[cH:23][cH:24][cH:25][cH:26]1.[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][cH:12][cH:13][cH:14]2)[cH:15][cH:16][cH:17][cH:18][cH:19]1>>[F:20][c:21]1[c:22]([S:27](=[O:28])(=[O:29])[n:30]2[cH:31][cH:32][c:33]3[c:34]([O:39][CH2:49][CH2:48][N:46]([C:45]([O:44][C:40]([CH3:41])([CH3:42])[CH3:43])=[O:51])[CH3:47])[cH:35][cH:36][cH:37][c:38]23)[cH:23][cH:24][cH:25][cH:26]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-224ce505fceb4bad9f63d210136d017c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…