반응식
[C:35]([O:36][CH2:38][CH3:39])(=[O:37])[CH3:40].[CH3:29][CH2:30][CH2:31][CH2:32][CH2:33][CH3:34].[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][O:12][c:13]3[c:14]2[c:15]([CH3:28])[c:16]([NH:20][C:21]([CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[c:17]([CH3:19])[cH:18]3)[cH:8][cH:9]1.[CH:41]([Cl:42])([Cl:43])[Cl:44]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[cH:5][cH:6][c:7]([CH:10]2[CH2:11][O:12][c:13]3[c:14]2[c:15]([CH3:28])[c:16]([NH:20][C:21]([CH2:22][C:23]([CH3:24])([CH3:25])[CH3:26])=[O:27])[c:17]([CH3:19])[c:18]3[CH:35]=[O:37])[cH:8][cH:9]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-50a10c59d89b4aa6bfec1e5338b3064c
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
연결된 노트
불러오는 중…