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Sodium Ion → N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3,3-bis(trifluoromethyl)oxirane-2-carboxamide

HRID 303042
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HRID 303042 반응식
[CH3:59][C:60]#[N:61].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([c:16]2[cH:17][c:18]([F:29])[cH:19][c:20]([O:22][C:23]([CH:24]([F:25])[F:26])([F:27])[F:28])[cH:21]2)[NH:30][C:31]([CH:32]=[C:33]([C:34]([F:35])([F:36])[F:37])[C:38]([F:39])([F:40])[F:41])=[O:42])[n:6][cH:7]1.[Cl:56][O-:57].[Na+:58].[c:43]1(-[c:44]2[cH:45][cH:46][n+:47]([O-:55])[cH:48][cH:49]2)[cH:50][cH:51][cH:52][cH:53][cH:54]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:8]([CH2:9][c:10]2[cH:11][cH:12][cH:13][cH:14][cH:15]2)([c:16]2[cH:17][c:18]([F:29])[cH:19][c:20]([O:22][C:23]([CH:24]([F:25])[F:26])([F:27])[F:28])[cH:21]2)[NH:30][C:31]([CH:32]2[C:33]([C:34]([F:35])([F:36])[F:37])([C:38]([F:39])([F:40])[F:41])[O:55]2)=[O:42])[n:6][cH:7]1
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참가 물질

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HCID 923Sodium IonHCID 6342AcetonitrileHCID 61739HypochloriteHCID 708034-Phenylpyridine-1-oxideHCID 72463150N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4,4,4-trifluoro-3-(trifluoromethyl)but-2-enamide

생성물 1

HCID 72463427
N-[1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-3,3-bis(trifluoromethyl)oxirane-2-carboxamide

출처 및 근거

ORD 기록
ord-47b745ca98a64ce0bed8a46dd6b2f4ca
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI
10.1039/C8SC04228D

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