1,4-Dioxane → HCID 58397871, 화합물
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[Br:28][c:29]1[o:30][c:31]([CH3:34])[n:32][n:33]1.[CH:35]([N:36]([CH:37]([CH3:38])[CH3:39])[CH2:40][CH3:41])([CH3:42])[CH3:43].[F:1][C:2]1([F:27])[CH2:3][NH:4][CH2:5][CH2:6][CH:7]1[NH:8][c:9]1[n:10][n:11]2[c:12]([c:13](-[c:17]3[c:18]([F:25])[c:19]([F:24])[c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15][cH:16]2)[n:26]1.[O:44]1[CH2:45][CH2:46][O:47][CH2:48][CH2:49]1>>[F:1][C:2]1([F:27])[CH2:3][N:4]([c:29]2[o:30][c:31]([CH3:34])[n:32][n:33]2)[CH2:5][CH2:6][CH:7]1[NH:8][c:9]1[n:10][n:11]2[c:12]([c:13](-[c:17]3[c:18]([F:25])[c:19]([F:24])[c:20]([F:23])[cH:21][cH:22]3)[cH:14][cH:15][cH:16]2)[n:26]1참가 물질
5
출처 및 근거
- ORD 기록
- ord-d6050afec79d474f9c305ef4486f6ed7
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (7/10)