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Sodium Ion → 6,8-difluoro-2-(3-fluoro-4-pivaloylaminophenyl)-5-(5-methylhexylamino)-4H-1-benzopyran-4-one

HRID 179941
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인쇄 미리보기

반응식

HRID 179941 반응식
[Br:29][CH2:30][CH2:31][CH2:32][CH2:33][CH:34]([CH3:35])[CH3:36].[CH3:40][N:41]([CH3:42])[CH:43]=[O:44].[H-:37].[NH2:1][c:2]1[c:3]([F:28])[cH:4][c:5]([F:27])[c:6]2[c:7]1[c:8](=[O:26])[cH:9][c:10](-[c:12]1[cH:13][c:14]([F:25])[c:15]([NH:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[cH:16][cH:17]1)[o:11]2.[Na+:38].[OH2:39]>>[NH:1]([c:2]1[c:3]([F:28])[cH:4][c:5]([F:27])[c:6]2[c:7]1[c:8](=[O:26])[cH:9][c:10](-[c:12]1[cH:13][c:14]([F:25])[c:15]([NH:18][C:19]([C:20]([CH3:21])([CH3:22])[CH3:23])=[O:24])[cH:16][cH:17]1)[o:11]2)[CH2:30][CH2:31][CH2:32][CH2:33][CH:34]([CH3:35])[CH3:36]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 5207261-Bromo-5-methylhexaneHCID 194349345-amino-6,8-difluoro-2-(3-fluoro-4-pivaloylaminophenyl)-4H-1-benzopyran-4-one

생성물 1

HCID 19434827
6,8-difluoro-2-(3-fluoro-4-pivaloylaminophenyl)-5-(5-methylhexylamino)-4H-1-benzopyran-4-one

출처 및 근거

ORD 기록
ord-5f12bb3b4c7d4f2b93fbbd17358108b3
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

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