반응식
[Br:1][c:2]1[cH:3][c:4]([O:10][c:11]2[c:12]([CH3:18])[n:13][n:14]([CH3:17])[c:15]2[CH3:16])[c:5]([C:8]#[N:9])[n:6][cH:7]1.[H-:31].[Na+:32].[O:26]=[CH:27][N:28]([CH3:29])[CH3:30].[OH2:33].[SH:19][c:20]1[cH:21][cH:22][cH:23][cH:24][n:25]1>>[c:2]1([S:19][c:20]2[cH:21][cH:22][cH:23][cH:24][n:25]2)[cH:3][c:4]([O:10][c:11]2[c:12]([CH3:18])[n:13][n:14]([CH3:17])[c:15]2[CH3:16])[c:5]([C:8]#[N:9])[n:6][cH:7]1참가 물질
7
출처 및 근거
- ORD 기록
- ord-1312536c49ab455698b3af5c1d2668eb
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…