Water → HCID 59370511, 화합물
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[CH3:16][CH2:17][N:18]([CH2:19][CH3:20])[CH2:21][CH3:22].[CH3:23][S:24](=[O:25])(=[O:26])[Cl:27].[F:1][c:2]1[cH:3][c:4]([C:12]([F:13])([F:14])[F:15])[c:5]([C:6]#[N:7])[cH:8][c:9]1[CH2:10][OH:11].[O:29]1[CH2:30][CH2:31][CH2:32][CH2:33]1.[OH2:28]>>[F:1][c:2]1[cH:3][c:4]([C:12]([F:13])([F:14])[F:15])[c:5]([C:6]#[N:7])[cH:8][c:9]1[CH3:10]참가 물질
6
출처 및 근거
- ORD 기록
- ord-7fac5c9cc74640ad97bd974fbc0086f2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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