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

HRID 141869
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인쇄 미리보기

반응식

HRID 141869 반응식
[Br:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][Br:35].[CH3:39][N:40]([CH3:41])[CH:42]=[O:43].[H-:36].[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+:37].[OH2:38]>>[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)[CH2:34][CH2:33][CH2:32][CH2:31][CH2:30][Br:29]
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반응물 6

HCID 923Sodium IonHCID 962WaterHCID 6228DimethylformamideHCID 81001,5-DibromopentaneHCID 166653HydrideHCID 194349345-amino-6,8-difluoro-2-(3-fluoro-4-pivaloylaminophenyl)-4H-1-benzopyran-4-one

생성물 1

HCID 19434865
5-(5-bromopentylamino)-6,8-difluoro-2-(3-fluoro-4-pivaloylaminophenyl)-4H-1-benzopyran-4-one

출처 및 근거

ORD 기록
ord-31b51f5bdcfd40a69571f0d2ff231e39
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

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