반응식
[C:45]([C:46](=[O:47])[OH:48])(=[O:49])[OH:50].[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][C:6]([OH:7])([c:8]1[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]1)[c:15]1[c:16]([CH2:23][OH:24])[cH:17][c:18]([C:19]#[N:20])[cH:21][cH:22]1)[CH3:25].[CH3:56][S:57]([CH3:58])=[O:59].[CH:51]([OH:52])([CH3:53])[CH3:54].[Cl:32][c:33]1[cH:34][cH:35][c:36]([Cl:37])[cH:38][c:39]1[N+:40]([O-:41])=[O:42].[K+:26].[K+:27].[O-:28][C:29]([O-:30])=[O:31].[OH2:43].[OH2:44].[OH2:55]>>[C:45]([C:46](=[O:47])[OH:48])(=[O:49])[OH:50].[CH3:1][N:2]([CH2:3][CH2:4][CH2:5][C:6]1([c:8]2[cH:9][cH:10][c:11]([F:14])[cH:12][cH:13]2)[O:7][CH2:23][c:16]2[c:15]1[cH:22][cH:21][c:18]([C:19]#[N:20])[cH:17]2)[CH3:25]참가 물질
10
반응물 8
생성물 2
출처 및 근거
- ORD 기록
- ord-28a974e816984803a6796c609f00d2f2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
연결된 노트
불러오는 중…