1-Butanol → HCID 178508732, 화합물
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[CH2:41]([OH:42])[CH2:43][CH2:44][CH3:45].[CH:32]([N:33]([CH2:34][CH3:35])[CH:36]([CH3:37])[CH3:38])([CH3:39])[CH3:40].[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:19][NH2:20])[c:9](-[c:12]3[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]3)[n:10][c:11]12.[NH2:21][c:22]1[n:23][c:24]([Cl:31])[c:25]2[nH:26][cH:27][n:28][c:29]2[n:30]1>>[Cl:1][c:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][c:8]([CH2:19][NH:20][c:24]3[n:23][c:22]([NH2:21])[n:30][c:29]4[c:25]3[n:26][cH:27][nH:28]4)[c:9](-[c:12]3[c:13]([Cl:18])[cH:14][cH:15][cH:16][cH:17]3)[n:10][c:11]12참가 물질
5
출처 및 근거
- ORD 기록
- ord-aef9e2c99dc642a2b389d7c8b96fdc7e
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (5/10)