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[Br:25][c:26]1[cH:27][cH:28][c:29]([S:30]([NH:31][CH:32]2[CH2:33][CH2:34][CH:35]3[CH2:36][CH:37]2[C:38]3([CH3:39])[CH3:40])(=[O:41])=[O:42])[cH:43][cH:44]1.[C:12](#[CH:13])[c:14]1[o:15][c:16]2[c:17]([cH:18]1)[cH:19][cH:20][c:21]([O:23][CH3:24])[cH:22]2.[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([I:11])[cH:9][cH:10]1.[OH:45][CH2:46][CH2:47][C:48]#[CH:49]>>[C:1]([CH3:2])(=[O:3])[O:4][c:5]1[cH:6][cH:7][c:8]([C:13]#[C:12][c:14]2[o:15][c:16]3[c:17]([cH:18]2)[cH:19][cH:20][c:21]([O:23][CH3:24])[cH:22]3)[cH:9][cH:10]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-0e5f9856d15d4bcf91b256b466052790
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (1/10)
연결된 노트
불러오는 중…