반응식
[Br:1][c:2]1[c:3]([NH2:9])[n:4][n:5][c:6]([Cl:8])[cH:7]1.[CH3:10][O:11][c:12]1[cH:13][c:14]([CH3:21])[c:15]([B:18]([OH:19])[OH:20])[cH:16][cH:17]1.[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:35][CH2:36][OH:37].[Na+:22].[Na+:23].[O-:24][C:25](=[O:26])[O-:27]>>[c:2]1(-[c:15]2[c:14]([CH3:21])[cH:13][c:12]([O:11][CH3:10])[cH:17][cH:16]2)[c:3]([NH2:9])[n:4][n:5][c:6]([Cl:8])[cH:7]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-240cf1a162e14a6d97fb1c660e663ff7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…