Acetonitrile → HCID 13933098, 화합물
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[C:21]([CH3:22])(=[O:23])[N:24]([CH3:25])[CH:26]1[CH2:27][NH:28][CH2:29][CH:30]1[CH3:31].[CH2:32]1[CH2:33][CH2:34][C:35]2=[N:40][CH2:39][CH2:38][CH2:37][N:36]2[CH2:41][CH2:42]1.[CH3:43][C:44]#[N:45].[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([F:15])[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:18](=[O:19])[OH:20])[c:7](=[O:17])[c:8]3[cH:9][c:10]([F:16])[c:11]([N:28]4[CH2:27][CH:26]([N:24]([C:21]([CH3:22])=[O:23])[CH3:25])[CH:30]([CH3:31])[CH2:29]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-9b114b5c89664076a489f1cb36599f14
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)