반응식
[Br:1][CH:2]=[C:3]1[c:4]2[c:5]([cH:15][cH:16][cH:17][cH:18]2)[CH2:6][CH2:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][c:13]2[Cl:14].[CH3:19][S:20](=[O:21])(=[O:22])[NH:23][c:24]1[cH:25][c:26]([B:30]([OH:31])[OH:32])[cH:27][cH:28][cH:29]1>>[CH:2](=[C:3]1[c:4]2[c:5]([cH:15][cH:16][cH:17][cH:18]2)[CH2:6][CH2:7][c:8]2[c:9]1[cH:10][cH:11][cH:12][c:13]2[Cl:14])[c:26]1[cH:25][c:24]([NH:23][S:20]([CH3:19])(=[O:21])=[O:22])[cH:29][cH:28][cH:27]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-4779096eb7264807990bd15cddc13557
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
연결된 노트
불러오는 중…