반응식
[CH2:27]1[O:28][CH2:29][CH2:30][CH2:31]1.[Cl:1][c:2]1[n:3][c:4]2[cH:5][c:6](-[c:18]3[cH:19][cH:20][c:21]([CH:23]=[O:24])[o:22]3)[cH:7][cH:8][c:9]2[c:10]([N:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[n:11]1.[I:25].[NH3:26]>>[Cl:1][c:2]1[n:3][c:4]2[cH:5][c:6](-[c:18]3[cH:19][cH:20][c:21]([C:23]#[N:26])[o:22]3)[cH:7][cH:8][c:9]2[c:10]([N:12]2[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[n:11]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-0ac43732cc5b4f4bb992275fede14702
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…