반응식
[BH4-:19].[CH3:21][C:22](=[O:23])[CH3:24].[CH3:31][CH2:32][OH:33].[CH3:34][CH2:35][CH2:36][CH2:37][CH2:38][CH3:39].[Cl:1][c:2]1[cH:3][c:4]([N:5]=[CH:6][c:7]2[c:8]([OH:14])[cH:9][cH:10][c:11]([Br:13])[cH:12]2)[cH:15][c:16]([Cl:18])[cH:17]1.[Na+:20].[O:26]1[CH2:27][CH2:28][CH2:29][CH2:30]1.[OH2:25]>>[Cl:1][c:2]1[cH:3][c:4]([NH:5][CH2:6][c:7]2[c:8]([OH:14])[cH:9][cH:10][c:11]([Br:13])[cH:12]2)[cH:15][c:16]([Cl:18])[cH:17]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-adc9e2b4a344480f97715806da409804
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
연결된 노트
불러오는 중…