Hexane → HCID 22005154, 화합물
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[C:34]([O:35][CH2:36][CH3:37])(=[O:38])[CH3:39].[CH3:28][CH2:29][CH2:30][CH2:31][CH2:32][CH3:33].[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:25]([CH3:26])[CH3:27])[c:7]([CH:20]=[CH:21][CH2:22][CH2:23][CH3:24])[c:8](-[c:12]2[cH:13][cH:14][c:15]([CH2:18][CH3:19])[cH:16][cH:17]2)[c:9]1[CH2:10][OH:11]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[n:5][c:6]([CH:25]([CH3:26])[CH3:27])[c:7]([CH2:20][CH2:21][CH2:22][CH2:23][CH3:24])[c:8](-[c:12]2[cH:13][cH:14][c:15]([CH2:18][CH3:19])[cH:16][cH:17]2)[c:9]1[CH2:10][OH:11]참가 물질
4
출처 및 근거
- ORD 기록
- ord-06c78eb23ba94f93ac2a117ca66a2d4d
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (10/10)
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