반응식
[CH3:26][CH2:27][O:28][C:29]([CH3:30])=[O:31].[CH3:4][C:5]([CH3:6])=[O:7].[Cl:8][c:9]1[n:10][cH:11][n:12][c:13]([Cl:15])[cH:14]1.[Na+:2].[OH-:1].[OH2:32].[OH2:3].[OH:16][c:17]1[cH:18][c:19]2[cH:20][cH:21][nH:22][c:23]2[cH:24][cH:25]1>>[c:9]1([O:16][c:17]2[cH:18][c:19]3[cH:20][cH:21][nH:22][c:23]3[cH:24][cH:25]2)[n:10][cH:11][n:12][c:13]([Cl:15])[cH:14]1참가 물질
8
출처 및 근거
- ORD 기록
- ord-abb98dfd454a492dbcf5379cd96a6ca9
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
연결된 노트
불러오는 중…