1-Butanol → HCID 60205387, 화합물
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[Br:1][c:2]1[c:3]([F:21])[c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[NH:11][C:12](=[O:13])[C:14]1([C:17]([F:18])([F:19])[F:20])[CH2:15][CH2:16]1.[CH2:36]([OH:37])[CH2:38][CH2:39][CH3:40].[NH:22]1[CH2:23][CH:24]([NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:25][CH2:26][CH2:27]1>>[Br:1][c:2]1[c:3]([N:22]2[CH2:23][CH:24]([NH:28][C:29]([O:30][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:35])[CH2:25][CH2:26][CH2:27]2)[c:4]2[c:5]([n:6][cH:7]1)[nH:8][cH:9][c:10]2[NH:11][C:12](=[O:13])[C:14]1([C:17]([F:18])([F:19])[F:20])[CH2:15][CH2:16]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-44179c0333d24b37ac7b8d97c13863ac
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (9/10)
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