반응식
[C:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)(=[O:10])[N:11]1[CH:12]([C:37]#[N:38])[c:13]2[cH:14][c:15]([O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:16][c:17]([O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:18]2[CH:19]=[CH:20]1.[CH3:39][O:40][c:41]1[cH:42][c:43]([CH2:44][Cl:45])[cH:46][c:47]([O:51][CH3:52])[c:48]1[O:49][CH3:50].[CH3:53][N:54]([CH3:55])[CH:56]=[O:57].[H-:1].[Na+:2]>>[C:3]([c:4]1[cH:5][cH:6][cH:7][cH:8][cH:9]1)(=[O:10])[N:11]1[C:12]([C:37]#[N:38])([CH2:44][c:43]2[cH:42][c:41]([O:40][CH3:39])[c:48]([O:49][CH3:50])[c:47]([O:51][CH3:52])[cH:46]2)[c:13]2[cH:14][c:15]([O:29][CH2:30][c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:16][c:17]([O:21][CH2:22][c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:18]2[CH:19]=[CH:20]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-87c0265db26f41f4bba7c07b97eaf256
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…