1-Butanol → HCID 178495566, 화합물
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[CH2:36]([OH:37])[CH2:38][CH2:39][CH3:40].[Cl:15][c:16]1[c:17]2[c:18]([n:19][cH:20][c:21]1[C:22]([F:23])([F:24])[F:25])[nH:26][cH:27][c:28]2[NH:29][C:30]([CH:31]([CH3:32])[O:33][CH3:34])=[O:35].[NH:1]1[CH2:2][CH:3]([NH:7][C:8]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[CH2:4][CH2:5][CH2:6]1.[OH2:41]>>[N:1]1([c:16]2[c:17]3[c:18]([n:19][cH:20][c:21]2[C:22]([F:23])([F:24])[F:25])[nH:26][cH:27][c:28]3[NH:29][C:30]([CH:31]([CH3:32])[O:33][CH3:34])=[O:35])[CH2:2][CH:3]([NH:7][C:8]([O:9][C:10]([CH3:11])([CH3:12])[CH3:13])=[O:14])[CH2:4][CH2:5][CH2:6]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-e7c78829059f4fd69d5ca105aa1f20e6
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (8/10)