반응식
[Br:1][c:2]1[cH:3][n:4][c:5]([NH2:16])[c:6]([NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[n:7]1.[C:17](=[O:18])([O-:19])[O-:20].[CH3:34][O:35][CH2:36][CH2:37][O:38][CH3:39].[CH3:40][CH2:41][O:42][C:43]([CH3:44])=[O:45].[Cl:23][c:24]1[c:25]([B:31]([OH:32])[OH:33])[cH:26][c:27]([F:30])[n:28][cH:29]1.[Na+:21].[Na+:22]>>[c:2]1(-[c:25]2[c:24]([Cl:23])[cH:29][n:28][c:27]([F:30])[cH:26]2)[cH:3][n:4][c:5]([NH2:16])[c:6]([NH:8][CH2:9][CH:10]2[CH2:11][CH2:12][O:13][CH2:14][CH2:15]2)[n:7]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-f45fb6050439431fbdc183899d066790
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…