1-Butanol → HCID 178445599, 화합물
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[CH2:17]([OH:18])[CH2:19][CH2:20][CH3:21].[ClH:1].[F:2][C:3]([CH2:4][C:5]([CH3:6])([CH3:7])[NH2:8])([F:9])[F:10].[N-:11]([C:12]#[N:13])[C:14]#[N:15].[Na+:16]>>[F:2][C:3]([CH2:4][C:5]([CH3:6])([CH3:7])[NH:8][C:14]([NH:11][C:12]#[N:13])=[NH:15])([F:9])[F:10]참가 물질
6
출처 및 근거
- ORD 기록
- ord-6cecb0e3966e477bbd43097f8fbdcb04
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)
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