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Bromide ion → 2-(3-Fluoro-4-(trifluoromethyl)benzyl)-1-(methoxycarbonyl)piperidine-4-carboxylic acid

HRID 91140
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HRID 91140 반응식
[Br-:28].[CH3:29][CH2:30][N:31]([CH2:32][CH3:33])[CH2:34][CH3:35].[CH3:36][C:37]#[N:38].[F:1][c:2]1[cH:3][c:4]([CH2:5][CH:6]2[N:7]([C:16](=[O:17])[O:18][CH3:19])[CH2:8][CH2:9][CH:10]([C:12](=[O:13])[O:14][CH3:15])[CH2:11]2)[cH:20][cH:21][c:22]1[C:23]([F:24])([F:25])[F:26].[Li+:27].[OH2:39]>>[F:1][c:2]1[cH:3][c:4]([CH2:5][CH:6]2[N:7]([C:16](=[O:17])[O:18][CH3:19])[CH2:8][CH2:9][CH:10]([C:12](=[O:13])[OH:14])[CH2:11]2)[cH:20][cH:21][c:22]1[C:23]([F:24])([F:25])[F:26]
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7

반응물 6

HCID 259Bromide ionHCID 962WaterHCID 6342AcetonitrileHCID 8471TriethylamineHCID 28486Lithium CationHCID 66734842Dimethyl 2-(3-fluoro-4-(trifluoromethyl)benzyl)piperidine-1,4-dicarboxylate

생성물 1

HCID 667322622-(3-Fluoro-4-(trifluoromethyl)benzyl)-1-(methoxycarbonyl)piperidine-4-carboxylic acid

출처 및 근거

ORD 기록
ord-6bc6a18f50034ae8be2bddde15a86747
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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