Bromide ion → HCID 13535661, 화합물
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[Br-:29].[CH2:30]([N+:31]([CH2:32][CH3:33])([CH2:34][CH3:35])[CH2:36][c:37]1[cH:38][cH:39][cH:40][cH:41][cH:42]1)[CH3:43].[CH3:44][c:45]1[cH:46][cH:47][cH:48][cH:49][cH:50]1.[Cl:13][c:14]1[cH:15][cH:16][c:17]([O:18][C:19]([CH2:20][OH:21])([CH3:22])[CH3:23])[cH:24][cH:25]1.[F:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][Cl:10])[cH:11][cH:12]1.[Na+:27].[OH-:26].[OH2:28]>>[F:1][CH2:2][CH2:3][O:4][c:5]1[cH:6][cH:7][c:8]([CH2:9][O:21][CH2:20][C:19]([O:18][c:17]2[cH:16][cH:15][c:14]([Cl:13])[cH:25][cH:24]2)([CH3:22])[CH3:23])[cH:11][cH:12]1참가 물질
9
출처 및 근거
- ORD 기록
- ord-5068645492bd4f15ab3218e23fb80771
- 출처 데이터셋
- Training data from https://doi.org/10.1039/C8SC04228D (4/10)
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