2-Pyridinecarboxaldehyde → HCID 67005446, 화합물

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[CH2:1]([C@H:8]([N:17]([CH2:32][C:33]1[CH:38]=[CH:37][C:36]([CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])=[CH:35][CH:34]=1)[C:18](=[O:31])[CH:19]=[CH:20][C:21]1[CH:26]=[CH:25][C:24]([C:27]([F:30])([F:29])[F:28])=[CH:23][CH:22]=1)[C:9](=[O:16])[N:10]1[CH2:15][CH2:14][NH:13][CH2:12][CH2:11]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1.[N:44]1[CH:49]=[CH:48][CH:47]=[CH:46][C:45]=1[CH:50]=O.C(O[BH-](OC(=O)C)OC(=O)C)(=O)C.[Na+]>C(#N)C>[CH2:1]([C@H:8]([N:17]([CH2:32][C:33]1[CH:34]=[CH:35][C:36]([CH2:39][CH2:40][CH2:41][CH2:42][CH3:43])=[CH:37][CH:38]=1)[C:18](=[O:31])[CH:19]=[CH:20][C:21]1[CH:26]=[CH:25][C:24]([C:27]([F:30])([F:29])[F:28])=[CH:23][CH:22]=1)[C:9](=[O:16])[N:10]1[CH2:11][CH2:12][N:13]([CH2:50][C:45]2[CH:46]=[CH:47][CH:48]=[CH:49][N:44]=2)[CH2:14][CH2:15]1)[C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][CH:3]=1

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실험 절차

N—((S)-1-Benzyl-2-oxo-2-piperazin-1-yl-ethyl)-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide (50 mg, 0.084 mmol) was dissolved in acetonitrile (1 mL) and pyridine-2-carbaldehyde (10 mg, 0.092 mmol) and sodium triacetoxyborohydride (26.7 mg, 0.126 mmol) was added. The mixture was stirred at rt for 16 h, filtered and directly purified by prep. HPLC to give 29 mg of N—[(S)-1-Benzyl-2-oxo-2-(4-pyridin-2-ylmethyl-piperazin-1-yl)-ethyl]-N-(4-pentyl-benzyl)-3-(4-trifluoromethyl-phenyl)-acrylamide. LC-MS: tR=1.02 min; [M+H]+=683.58.