Acetonitrile → HCID 4539764, 화합물
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[Br:14][CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20].[CH3:21][C:22]#[N:23].[c:1]1(-[c:7]2[c:8]([OH:13])[cH:9][cH:10][cH:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1>>[c:1]1(-[c:7]2[c:8]([O:13][CH2:15][C:16](=[O:17])[O:18][CH2:19][CH3:20])[cH:9][cH:10][cH:11][cH:12]2)[cH:2][cH:3][cH:4][cH:5][cH:6]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-1e0ab639bf8f49edb5ec82391c3bb1fc
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)
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