반응식
[CH3:33][CH:34]([OH:35])[CH2:36][CH2:37][CH3:38].[CH:29]([OH:30])([CH3:31])[CH3:32].[Cl:1][c:2]1[cH:3][n:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][O:17][CH3:18])[c:9]([O:12][CH3:13])[cH:10][c:11]12.[F:19][c:20]1[c:21]([NH2:22])[cH:23][c:24]([OH:28])[c:25]([CH3:27])[cH:26]1>>[ClH:1].[c:2]1([NH:22][c:21]2[c:20]([F:19])[cH:26][c:25]([CH3:27])[c:24]([OH:28])[cH:23]2)[cH:3][n:4][n:5][c:6]2[cH:7][c:8]([O:14][CH2:15][CH2:16][O:17][CH3:18])[c:9]([O:12][CH3:13])[cH:10][c:11]12참가 물질
6
출처 및 근거
- ORD 기록
- ord-d3ef0a68b09f45298c582c540c283671
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
연결된 노트
불러오는 중…