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[CH3:23][CH:24]([CH3:25])[NH2:26].[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([S:17][CH3:18])[n:15][cH:16]3)[n:19]([CH3:22])[c:20]2=[O:21])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1>>[Cl:1][c:2]1[c:3](-[c:9]2[cH:10][c:11]3[c:12]([n:13][c:14]([NH:26][CH:24]([CH3:23])[CH3:25])[n:15][cH:16]3)[n:19]([CH3:22])[c:20]2=[O:21])[c:4]([Cl:8])[cH:5][cH:6][cH:7]1참가 물질
3
출처 및 근거
- ORD 기록
- ord-bafeac23fdf546a68a3a8c529a3b8d76
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
연결된 노트
불러오는 중…