Acetonitrile → HCID 136337205, 화합물
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[CH3:37][C:38]#[N:39].[Cl:29][N:30]1[C:31](=[O:32])[CH2:33][CH2:34][C:35]1=[O:36].[Cl:40][CH2:41][Cl:42].[F:1][c:2]1[cH:3][cH:4][c:5]([OH:28])[c:6](-[c:8]2[cH:9][cH:10][cH:11][c:12](-[n:14]3[n:15][cH:16][c:17]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[c:18]3[C:19]([F:20])([F:21])[F:22])[n:13]2)[cH:7]1>>[F:1][c:2]1[cH:3][c:4]([Cl:29])[c:5]([OH:28])[c:6](-[c:8]2[cH:9][cH:10][cH:11][c:12](-[n:14]3[n:15][cH:16][c:17]([C:23](=[O:24])[O:25][CH2:26][CH3:27])[c:18]3[C:19]([F:20])([F:21])[F:22])[n:13]2)[cH:7]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-96bbf30762764960b1bce7f663587591
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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