반응식
[C:24](=[O:25])([OH:26])[O-:27].[ClH:29].[NH2:1][c:2]1[n:3][c:4]([SH:23])[c:5]([C:21]#[N:22])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][O:19][CH3:20])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9].[Na+:28].[O:39]=[CH:40][N:41]([CH3:42])[CH3:43].[OH2:38].[c:30]1([CH2:36][Cl:37])[cH:31][cH:32][cH:33][cH:34][n:35]1>>[NH2:1][c:2]1[n:3][c:4]([S:23][CH2:36][c:30]2[cH:31][cH:32][cH:33][cH:34][n:35]2)[c:5]([C:21]#[N:22])[c:6](-[c:10]2[cH:11][cH:12][c:13]([O:16][CH2:17][CH2:18][O:19][CH3:20])[cH:14][cH:15]2)[c:7]1[C:8]#[N:9]참가 물질
8
출처 및 근거
- ORD 기록
- ord-565a677b977f4e5f8caba66c3c226445
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…