반응식
[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][c:7]2[c:12]([cH:13][cH:14]1)[N:11]([CH2:15][CH2:16][CH:17]([CH3:18])[CH3:19])[CH:10]([c:20]1[cH:21][c:22]([Cl:27])[c:23]([F:26])[cH:24][cH:25]1)[CH2:9][C:8]2([CH3:28])[CH2:29][CH3:30].[CH3:38][OH:39].[Na+:32].[O:33]1[CH2:34][CH2:35][CH2:36][CH2:37]1.[OH-:31].[OH2:40]>>[O:2]=[C:3]([OH:4])[c:5]1[n:6][c:7]2[c:12]([cH:13][cH:14]1)[N:11]([CH2:15][CH2:16][CH:17]([CH3:18])[CH3:19])[CH:10]([c:20]1[cH:21][c:22]([Cl:27])[c:23]([F:26])[cH:24][cH:25]1)[CH2:9][C:8]2([CH3:28])[CH2:29][CH3:30]참가 물질
7
출처 및 근거
- ORD 기록
- ord-9505047ffb83444498e043be20f45f2b
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
연결된 노트
불러오는 중…