반응식
[CH2:18]([N:19]([CH:20]([CH3:21])[CH3:22])[CH:23]([CH3:24])[CH3:25])[CH3:26].[CH:42]([OH:43])([CH3:44])[CH3:45].[Cl:1][c:2]1[n:3][c:4]([Cl:17])[c:5]2[n:6][cH:7][n:8]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:9]2[n:10]1.[c:27]1([CH:33]([CH2:34][NH2:35])[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:28][cH:29][cH:30][cH:31][cH:32]1>>[Cl:1][c:2]1[n:3][c:4]([NH:35][CH2:34][CH:33]([c:27]2[cH:28][cH:29][cH:30][cH:31][cH:32]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[c:5]2[n:6][cH:7][n:8]([CH:11]3[O:12][CH2:13][CH2:14][CH2:15][CH2:16]3)[c:9]2[n:10]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-29db1a4f1786403e880fbaaf2a35696d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…