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Hydrochloric Acid → 5-(5-dimethylaminopentylamino)-6,8-difluoro-2-(3-fluoro-4-pivaloylaminophenyl)-4H-1-benzopyran-4-one

HRID 1224310
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인쇄 미리보기

반응식

HRID 1224310 반응식
[Br:1][CH2:2][CH2:3][CH2:4][CH2:5][CH2:6][NH:7][c:8]1[c:9]([F:34])[cH:10][c:11]([F:33])[c:12]2[c:13]1[c:14](=[O:32])[cH:15][c:16](-[c:18]1[cH:19][c:20]([F:31])[c:21]([NH:24][C:25]([C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:22][cH:23]1)[o:17]2.[C:39](=[O:40])([O-:41])[O-:42].[CH3:36][NH:37][CH3:38].[ClH:35].[K+:43].[K+:44]>>[CH2:2]([CH2:3][CH2:4][CH2:5][CH2:6][NH:7][c:8]1[c:9]([F:34])[cH:10][c:11]([F:33])[c:12]2[c:13]1[c:14](=[O:32])[cH:15][c:16](-[c:18]1[cH:19][c:20]([F:31])[c:21]([NH:24][C:25]([C:26]([CH3:27])([CH3:28])[CH3:29])=[O:30])[cH:22][cH:23]1)[o:17]2)[N:37]([CH3:36])[CH3:38]
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 313Hydrochloric AcidHCID 674DimethylamineHCID 813Potassium Cation2회HCID 19660Carbonate IonHCID 194348655-(5-bromopentylamino)-6,8-difluoro-2-(3-fluoro-4-pivaloylaminophenyl)-4H-1-benzopyran-4-one

생성물 1

HCID 19434892
5-(5-dimethylaminopentylamino)-6,8-difluoro-2-(3-fluoro-4-pivaloylaminophenyl)-4H-1-benzopyran-4-one

출처 및 근거

ORD 기록
ord-684c26062cda461d89489c51064efcb8
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

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