Acetonitrile → HCID 22130857, 화합물
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[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][CH2:11][c:12]1[nH:13][c:14]([S:20][c:21]2[cH:22][c:23]([Cl:28])[cH:24][c:25]([Cl:27])[cH:26]2)[c:15]([CH:17]([CH3:18])[CH3:19])[n:16]1.[CH3:35][O:36][S:37]([O:38][CH3:39])(=[O:40])=[O:41].[CH3:42][C:43]#[N:44].[Li+:29].[Li+:30].[O-:31][C:32](=[O:33])[O-:34]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[O:8][CH2:9][CH2:10][CH2:11][c:12]1[n:13]([CH3:32])[c:14]([S:20][c:21]2[cH:22][c:23]([Cl:28])[cH:24][c:25]([Cl:27])[cH:26]2)[c:15]([CH:17]([CH3:18])[CH3:19])[n:16]1참가 물질
6
출처 및 근거
- ORD 기록
- ord-04380ce6f0a34b3fa9e88b7ea19c40d8
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (3/10)
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