Acetonitrile → HCID 13933106, 화합물
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[CH2:21]([CH3:22])[NH:23][CH2:24][CH:25]1[CH2:26][NH:27][CH2:28][CH:29]1[CH3:30].[CH2:31]1[CH2:32][CH2:33][C:34]2=[N:39][CH2:38][CH2:37][CH2:36][N:35]2[CH2:40][CH2:41]1.[CH3:42][C:43]#[N:44].[Cl:1][c:2]1[c:3]([F:20])[c:4]([F:19])[cH:5][c:6]2[c:7](=[O:18])[c:8]([C:15](=[O:16])[OH:17])[cH:9][n:10]([CH:12]3[CH2:13][CH2:14]3)[c:11]12>>[Cl:1][c:2]1[c:3]([N:27]2[CH2:26][CH:25]([CH2:24][NH:23][CH2:21][CH3:22])[CH:29]([CH3:30])[CH2:28]2)[c:4]([F:19])[cH:5][c:6]2[c:7](=[O:18])[c:8]([C:15](=[O:16])[OH:17])[cH:9][n:10]([CH:12]3[CH2:13][CH2:14]3)[c:11]12참가 물질
5
출처 및 근거
- ORD 기록
- ord-cc9254adaac140ef8848628105e3f6e0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
- DOI