반응식
[CH2:13]([N:14]([CH:15]([CH3:16])[CH3:17])[CH:18]([CH3:19])[CH3:20])[CH3:21].[Cl:1][c:2]1[n:3][c:4]([S:11][CH3:12])[n:5][c:6]([Cl:10])[c:7]1[C:8]#[N:9].[ClH:22].[F:23][c:24]1[cH:25][cH:26][c:27]([CH:30]2[CH2:31][CH2:32][NH:33][CH2:34][CH2:35]2)[cH:28][cH:29]1.[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1>>[c:2]1([N:33]2[CH2:32][CH2:31][CH:30]([c:27]3[cH:26][cH:25][c:24]([F:23])[cH:29][cH:28]3)[CH2:35][CH2:34]2)[n:3][c:4]([S:11][CH3:12])[n:5][c:6]([Cl:10])[c:7]1[C:8]#[N:9]참가 물질
6
출처 및 근거
- ORD 기록
- ord-a451c54e48364453812b4c370b675870
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…