(+-)-2-Butanol → HCID 86590241, 화합물
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[CH3:24][CH:25]([OH:26])[CH2:27][CH3:28].[Cl:1][c:2]1[n:3][cH:4][c:5]([C:11]#[N:12])[c:6]([NH:8][CH2:9][CH3:10])[n:7]1.[S:13](=[O:14])([c:15]1[cH:16][cH:17][c:18]([NH2:21])[cH:19][cH:20]1)(=[O:22])[F:23]>>[c:2]1([NH:21][c:18]2[cH:17][cH:16][c:15]([S:13](=[O:14])(=[O:22])[F:23])[cH:20][cH:19]2)[n:3][cH:4][c:5]([C:11]#[N:12])[c:6]([NH:8][CH2:9][CH3:10])[n:7]1참가 물질
4
출처 및 근거
- ORD 기록
- ord-2a80c79df18a4992b809a7e3c9e27d48
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (6/10)
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