반응식
[CH3:1][S:2]([O:3][CH2:6][CH2:7][CH2:8][c:9]1[cH:10][nH:11][c:12]2[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][c:17]12)(=[O:4])=[O:5].[CH3:20][O:21][c:22]1[c:23]([N:28]2[CH2:29][CH2:30][NH:31][CH2:32][CH2:33]2)[n:24][cH:25][n:26][cH:27]1.[CH3:43][C:44]#[N:45].[CH:34]([N:35]([CH2:36][CH3:37])[CH:38]([CH3:39])[CH3:40])([CH3:41])[CH3:42].[CH:46]([Cl:47])([Cl:48])[Cl:49]>>[CH2:6]([CH2:7][CH2:8][c:9]1[cH:10][nH:11][c:12]2[cH:13][cH:14][c:15]([C:18]#[N:19])[cH:16][c:17]12)[N:31]1[CH2:30][CH2:29][N:28]([c:23]2[c:22]([O:21][CH3:20])[cH:27][n:26][cH:25][n:24]2)[CH2:33][CH2:32]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-c2ca7afb2c7541f59aab2e4f23c5b182
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…