1,1,1,3,3,3-Hexafluoro-2-propanol → HCID 21873942, 화합물
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[F:23][C:24]([F:25])([F:26])[CH:27]([OH:28])[C:29]([F:30])([F:31])[F:32].[NH2:1][c:2]1[c:3]2[n:4]([cH:5][cH:6][c:7]1[C:8]([CH:9]1[CH:10]([c:11]3[cH:12][s:13][cH:14][cH:15]3)[O:16]1)=[O:17])[c:18]([CH3:22])[c:19]([CH3:21])[n:20]2>>[NH:1]1[c:2]2[c:3]3[n:4]([cH:5][cH:6][c:7]2[C:8](=[O:17])[CH:9]([OH:16])[CH:10]1[c:11]1[cH:12][s:13][cH:14][cH:15]1)[c:18]([CH3:22])[c:19]([CH3:21])[n:20]3참가 물질
3
출처 및 근거
- ORD 기록
- ord-dbd55bc5fae546bc89892326207ba446
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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