반응식
[CH3:32][N:33]([CH3:34])[CH:35]=[O:36].[Cl:1][c:2]1[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:16][CH2:17][CH2:18][O:19][CH3:20])[c:9]([C:12](=[O:13])[O:14][CH3:15])[cH:10][c:11]12.[H-:30].[NH2:21][c:22]1[c:23]([Cl:29])[cH:24][c:25]([OH:28])[cH:26][cH:27]1.[Na+:31].[OH2:37]>>[c:2]1([O:28][c:25]2[cH:24][c:23]([Cl:29])[c:22]([NH2:21])[cH:27][cH:26]2)[cH:3][cH:4][n:5][c:6]2[cH:7][c:8]([O:16][CH2:17][CH2:18][O:19][CH3:20])[c:9]([C:12](=[O:13])[O:14][CH3:15])[cH:10][c:11]12참가 물질
7
출처 및 근거
- ORD 기록
- ord-4c337e4e73a348f994e399ee93b02319
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…