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Hydrochloric Acid → 7-(3-Aminoazetidin-1-yl)-1-(4-amino-5-fluoropyrimidin-2-yl)-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

HRID 670474
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인쇄 미리보기

반응식

HRID 670474 반응식
[CH3:1][N:2]([CH3:3])[CH:4]=[O:5].[CH3:38][N:39]1[CH2:40][CH2:41][CH2:42][CH2:43]1.[CH3:44][CH2:45][OH:46].[ClH:31].[ClH:32].[NH2:33][CH:34]1[CH2:35][NH:36][CH2:37]1.[NH2:6][c:7]1[n:8][c:9](-[n:14]2[cH:15][c:16]([C:28](=[O:29])[OH:30])[c:17](=[O:27])[c:18]3[cH:19][c:20]([F:26])[c:21]([F:25])[c:22]([Cl:24])[c:23]23)[n:10][cH:11][c:12]1[F:13]>>[NH2:6][c:7]1[n:8][c:9](-[n:14]2[cH:15][c:16]([C:28](=[O:29])[OH:30])[c:17](=[O:27])[c:18]3[cH:19][c:20]([F:26])[c:21]([N:36]4[CH2:35][CH:34]([NH2:33])[CH2:37]4)[c:22]([Cl:24])[c:23]23)[n:10][cH:11][c:12]1[F:13]
참가 물질출처 및 근거반응 노트

참가 물질

7

반응물 6

HCID 313Hydrochloric Acid2회HCID 702EthanolHCID 6228DimethylformamideHCID 84541-MethylpyrrolidineHCID 1516506Azetidin-3-amineHCID 221211951-(4-Amino-5-fluoropyrimidine-2-yl)-8-chloro 6,7-difluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

생성물 1

HCID 22121169
7-(3-Aminoazetidin-1-yl)-1-(4-amino-5-fluoropyrimidin-2-yl)-8-chloro-6-fluoro-4-oxo-1,4-dihydroquinoline-3-carboxylic acid

출처 및 근거

ORD 기록
ord-a068f204296d4da4aa0d8903654f33ee
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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