Acetonitrile → HCID 178424756, 화합물
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[CH3:46][C:47]#[N:48].[CH:1]([N:2]([CH2:3][CH3:4])[CH:5]([CH3:6])[CH3:7])([CH3:8])[CH3:9].[Cl:10][c:11]1[s:12][c:13]2[c:14]([n:15]1)[c:16]([C:20](=[O:21])[Cl:22])[cH:17][cH:18][cH:19]2.[NH2:23][CH2:24][CH:25]1[N:26]([C:31](=[O:32])[c:33]2[n:34][c:35]([CH3:45])[s:36][c:37]2-[c:38]2[cH:39][c:40]([CH3:44])[cH:41][cH:42][cH:43]2)[CH:27]2[CH2:28][CH:29]2[CH2:30]1>>[Cl:10][c:11]1[s:12][c:13]2[c:14]([n:15]1)[c:16]([C:20](=[O:21])[NH:23][CH2:24][CH:25]1[N:26]([C:31](=[O:32])[c:33]3[n:34][c:35]([CH3:45])[s:36][c:37]3-[c:38]3[cH:39][c:40]([CH3:44])[cH:41][cH:42][cH:43]3)[CH:27]3[CH2:28][CH:29]3[CH2:30]1)[cH:17][cH:18][cH:19]2참가 물질
5
출처 및 근거
- ORD 기록
- ord-ab4a34618d8a49b2b59baf6d5e4663d0
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)