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[Cl:31][CH2:32][Cl:33].[NH2:1][c:2]1[n:3][c:4]([S:11][CH3:12])[c:5]([C:9]#[N:10])[c:6]([Cl:8])[n:7]1.[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[c:13]1([CH:14]2[N:15]([S:16]([c:17]3[cH:18][cH:19][cH:20][cH:22][cH:23]3)(=[O:24])=[O:25])[O:21]2)[cH:26][cH:27][cH:28][cH:29][cH:30]1>>[NH2:1][c:2]1[n:3][c:4]([S:11]([CH3:12])=[O:21])[c:5]([C:9]#[N:10])[c:6]([Cl:8])[n:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-04b067495c764cc7af9a862d58c1a1a1
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…