반응식
[CH3:25][C:26]1([CH3:36])[CH:27]([C:33](=[O:34])[OH:35])[CH:28]1[CH:29]=[C:30]([Cl:31])[Cl:32].[Cl-:24].[O:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[c:14]1[cH:15][c:16]([CH:17]([CH:18]=[CH2:19])[OH:20])[cH:21][cH:22][cH:23]1.[OH2:43].[cH:1]1[cH:2][cH:3][n:4][cH:5][cH:6]1.[cH:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1>>[O:7]([c:8]1[cH:9][cH:10][cH:11][cH:12][cH:13]1)[c:14]1[cH:15][c:16]([CH:17]([CH:18]=[CH2:19])[O:20][C:33]([CH:27]2[C:26]([CH3:25])([CH3:36])[CH:28]2[CH:29]=[C:30]([Cl:31])[Cl:32])=[O:34])[cH:21][cH:22][cH:23]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-42e5857c4f11410688eebf27a12a9341
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…