반응식
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[N:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([C:19]#[C:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][CH2:28][CH2:29][CH3:30])[cH:25][cH:26]3)[cH:17][cH:18]2)[CH2:31][c:32]2[cH:33][cH:34][c:35]([C:36](=[O:37])[O:38][CH3:39])[cH:40][cH:41]2)[cH:42][cH:43]1.[CH:46]1([CH2:47][CH2:48][C:49]([Cl:50])=[O:51])[CH2:52][CH2:53][CH2:54][CH2:55]1.[Na+:45].[OH-:44]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:9](=[O:10])[N:11]([CH2:12][c:13]2[cH:14][cH:15][c:16]([C:19]#[C:20][c:21]3[cH:22][cH:23][c:24]([CH2:27][CH2:28][CH2:29][CH3:30])[cH:25][cH:26]3)[cH:17][cH:18]2)[CH2:31][c:32]2[cH:33][cH:34][c:35]([C:36](=[O:37])[OH:38])[cH:40][cH:41]2)[cH:42][cH:43]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-cecd8453f9a045d6a6c605b96585e5d9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…