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[CH3:31][CH2:32][OH:33].[CH3:34][C:35]#[N:36].[Cl:11][c:12]1[n:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[c:20]([NH:25][CH2:26][CH2:27][CH2:28][C:29]#[CH:30])[c:21]1[N+:22]([O-:23])=[O:24].[Na+:10].[Na+:9].[OH2:37].[S:1]([S:2]([O-:3])(=[O:4])=[O:5])([O-:6])(=[O:7])=[O:8]>>[Cl:11][c:12]1[n:13][c:14]2[cH:15][cH:16][cH:17][cH:18][c:19]2[c:20]([NH:25][CH2:26][CH2:27][CH2:28][C:29]#[CH:30])[c:21]1[NH2:22]참가 물질
7
출처 및 근거
- ORD 기록
- ord-81f7bc79f0f3400abe88f3cb7ce6b502
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (2/10)
연결된 노트
불러오는 중…