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Sodium Ion → 2-(3,5-Bis-trifluoromethyl-phenyl)-N-(6'-chloro-2-methyl-[3,4]bipyridinyl-3'-yl)-N-methyl-isobutyramide

HRID 89793
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HRID 89793 반응식
[CH2:17]([Li:18])[CH2:19][CH2:20][CH3:21].[CH2:44]1[O:45][CH2:46][CH2:47][CH2:48]1.[Cl:1][c:2]1[cH:3][c:4](-[c:10]2[c:11]([CH3:16])[n:12][cH:13][cH:14][cH:15]2)[c:5]([NH:8][CH3:9])[cH:6][n:7]1.[F:22][C:23]([c:24]1[cH:25][c:26]([C:34]([C:35](=[O:36])[Cl:37])([CH3:38])[CH3:39])[cH:27][c:28]([C:30]([F:31])([F:32])[F:33])[cH:29]1)([F:40])[F:41].[Na+:43].[OH-:42]>>[Cl:1][c:2]1[cH:3][c:4](-[c:10]2[c:11]([CH3:16])[n:12][cH:13][cH:14][cH:15]2)[c:5]([N:8]([CH3:9])[C:35]([C:34]([c:26]2[cH:25][c:24]([C:23]([F:22])([F:40])[F:41])[cH:29][c:28]([C:30]([F:31])([F:32])[F:33])[cH:27]2)([CH3:38])[CH3:39])=[O:36])[cH:6][n:7]1
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참가 물질

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반응물 6

HCID 923Sodium IonHCID 961HydroxideHCID 8028TetrahydrofuranHCID 112671412-(3,5-Bis(trifluoromethyl)phenyl)-2-methylpropanoyl chlorideHCID 586946066'-Chloro-N,2-dimethyl-[3,4'-bipyridin]-3'-amineHCID 178418339Butyllithium

생성물 1

HCID 21083635
2-(3,5-Bis-trifluoromethyl-phenyl)-N-(6'-chloro-2-methyl-[3,4]bipyridinyl-3'-yl)-N-methyl-isobutyramide

출처 및 근거

ORD 기록
ord-5940e656c63345acb70941c5abec8d51
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

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