반응식
[C:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:22])([CH3:23])[CH2:6][C:7]([CH3:15])([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:8]2[cH:9][c:10]([NH2:14])[cH:11][cH:12][c:13]21.[CH:35]([N:36]([CH2:37][CH3:38])[CH:39]([CH3:40])[CH3:41])([CH3:42])[CH3:43].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[c:24]1([CH2:30][CH2:31][C:32](=[O:33])[Cl:34])[cH:25][cH:26][cH:27][cH:28][cH:29]1>>[C:1]([CH3:2])(=[O:3])[N:4]1[C:5]([CH3:22])([CH3:23])[CH2:6][C:7]([CH3:15])([c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:8]2[cH:9][c:10]([NH:14][C:32]([CH2:31][CH2:30][c:24]3[cH:25][cH:26][cH:27][cH:28][cH:29]3)=[O:33])[cH:11][cH:12][c:13]21참가 물질
5
출처 및 근거
- ORD 기록
- ord-164f7d36c85344c199d541494ca93b55
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…