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Bromide ion → 2-[1,2-dihydroxy-2-(4-pyridin-2-ylphenyl)propyl]-4-(2,2-dimethylbutyl)-N,N-dimethyl-1H-imidazole-1-sulfonamide

HRID 86365
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HRID 86365 반응식
[Br-:1].[CH3:2][Mg+:3].[CH3:4][C:5]([CH2:6][c:7]1[n:8][c:9]([CH:18]([C:19]([c:20]2[cH:21][cH:22][c:23](-[c:26]3[n:27][cH:28][cH:29][cH:30][cH:31]3)[cH:24][cH:25]2)=[O:32])[OH:33])[n:10]([S:12](=[O:13])(=[O:14])[N:15]([CH3:16])[CH3:17])[cH:11]1)([CH2:34][CH3:35])[CH3:36].[O:37]1[CH2:38][CH2:39][CH2:40][CH2:41]1>>[CH3:2][C:19]([CH:18]([c:9]1[n:8][c:7]([CH2:6][C:5]([CH3:4])([CH2:34][CH3:35])[CH3:36])[cH:11][n:10]1[S:12](=[O:13])(=[O:14])[N:15]([CH3:16])[CH3:17])[OH:33])([c:20]1[cH:21][cH:22][c:23](-[c:26]2[n:27][cH:28][cH:29][cH:30][cH:31]2)[cH:24][cH:25]1)[OH:32]
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참가 물질

5

반응물 4

HCID 259Bromide ionHCID 8028TetrahydrofuranHCID 686682854-(2,2-dimethylbutyl)-2-[1-hydroxy-2-oxo-2-(4-pyridin-2-ylphenyl)ethyl]-N,N-dimethyl-1H-imidazole-1-sulfonamideHCID 178477777HCID 178477777, 화합물

생성물 1

HCID 686675722-[1,2-dihydroxy-2-(4-pyridin-2-ylphenyl)propyl]-4-(2,2-dimethylbutyl)-N,N-dimethyl-1H-imidazole-1-sulfonamide

출처 및 근거

ORD 기록
ord-93935bcbae8a4a5887c32449e82bc9c6
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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