Acetonitrile → HCID 59292845, 화합물
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[CH2:6]([CH3:7])[O:8][C:9](=[O:10])[c:11]1[cH:12][cH:13][c:14](-[c:21]2[c:22]([F:31])[c:23]([O:29][CH3:30])[cH:24][c:25]([O:27][CH3:28])[cH:26]2)[c:15]2[cH:16][cH:17][cH:18][n:19][c:20]12.[CH3:32][C:33]#[N:34].[S:1]([Cl:2])(=[O:3])([Cl:4])=[O:5]>>[Cl:4][c:26]1[c:21](-[c:14]2[cH:13][cH:12][c:11]([C:9]([O:8][CH2:6][CH3:7])=[O:10])[c:20]3[c:15]2[cH:16][cH:17][cH:18][n:19]3)[c:22]([F:31])[c:23]([O:29][CH3:30])[cH:24][c:25]1[O:27][CH3:28]참가 물질
4
출처 및 근거
- ORD 기록
- ord-12c9394d4ba441768f807c47d3a50627
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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