반응식
[Br:13][c:14]1[cH:15][c:16]([CH:17]=[O:18])[cH:19][cH:20][cH:21]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([NH2:11])[c:7]([Cl:10])[cH:8][cH:9]1)=[O:12].[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[c:22]1([CH3:23])[cH:24][cH:25][c:26]([S:27]([OH:28])(=[O:29])=[O:30])[cH:31][cH:32]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][c:6]([N:11]=[CH:17][c:16]2[cH:15][c:14]([Br:13])[cH:21][cH:20][cH:19]2)[c:7]([Cl:10])[cH:8][cH:9]1)=[O:12]참가 물질
5
출처 및 근거
- ORD 기록
- ord-ce854ffebdbb4586a05dc8f4efe8cc43
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
연결된 노트
불러오는 중…