Acetonitrile → HCID 14304602, 화합물
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[CH3:29][C:30]#[N:31].[CH:1]1([n:4]2[cH:5][c:6]([C:19](=[O:20])[OH:21])[c:7](=[O:18])[c:8]3[c:9]([F:17])[c:10]([F:16])[c:11]([F:15])[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1.[NH2:22][C:23]1([CH3:28])[CH2:24][NH:25][CH2:26][CH2:27]1>>[CH:1]1([n:4]2[cH:5][c:6]([C:19](=[O:20])[OH:21])[c:7](=[O:18])[c:8]3[c:9]([F:17])[c:10]([F:16])[c:11]([N:25]4[CH2:24][C:23]([NH2:22])([CH3:28])[CH2:27][CH2:26]4)[c:12]([F:14])[c:13]23)[CH2:2][CH2:3]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-138cd534d96e47cfa30d5eaeb80b3037
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)
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