Acetonitrile → HCID 59623743, 화합물
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[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][cH:7][cH:8][n:9][c:10]1[NH:11][S:12](=[O:13])(=[O:14])[CH2:15][c:16]1[c:17]([Cl:26])[cH:18][cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]1.[CH3:48][C:49]#[N:50].[CH:27]([N:28]([CH2:29][CH3:30])[CH:31]([CH3:32])[CH3:33])([CH3:34])[CH3:35].[F:36][CH:37]([CH2:38][O:39][S:40]([C:41]([F:42])([F:43])[F:44])(=[O:45])=[O:46])[F:47]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][cH:7][cH:8][n:9][c:10]1[N:11]([S:12](=[O:13])(=[O:14])[CH2:15][c:16]1[c:17]([Cl:26])[cH:18][cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[cH:21]1)[CH2:38][CH:37]([F:36])[F:47]참가 물질
5
출처 및 근거
- ORD 기록
- ord-486151bc86b74ce1bab19e312a18c4f2
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)