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Dimethylformamide → N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[3-(2-fluoro-3-pyrrolidin-1-ylphenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methylpentanamide

HRID 673660
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인쇄 미리보기

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HRID 673660 반응식
[CH3:28][C:29]1([CH3:41])[O:30][CH2:31][CH:32]([CH2:34][n:35]2[n:36][c:37]([NH2:40])[cH:38][cH:39]2)[O:33]1.[CH3:69][N:70]([CH3:71])[CH:72]=[O:73].[F:1][c:2]1[c:3]([O:4][C:5]2=[CH:6][C:7](=[O:18])[N:8]([CH:10]([C:11](=[O:12])[OH:13])[CH2:14][CH:15]([CH3:16])[CH3:17])[CH2:9]2)[cH:19][cH:20][cH:21][c:22]1[N:23]1[CH2:24][CH2:25][CH2:26][CH2:27]1.[P-:42]([F:43])([F:44])([F:45])([F:46])([F:47])[F:48].[n:49]1([O:50][P+:51]([N:52]([CH3:53])[CH3:54])([N:55]([CH3:56])[CH3:57])[N:58]([CH3:59])[CH3:60])[c:61]2[cH:62][cH:63][cH:64][cH:65][c:66]2[n:67][n:68]1>>[F:1][c:2]1[c:3]([O:4][C:5]2=[CH:6][C:7](=[O:18])[N:8]([CH:10]([C:11](=[O:12])[NH:40][c:37]3[n:36][n:35]([CH2:34][CH:32]4[CH2:31][O:30][C:29]([CH3:28])([CH3:41])[O:33]4)[cH:39][cH:38]3)[CH2:14][CH:15]([CH3:16])[CH3:17])[CH2:9]2)[cH:19][cH:20][cH:21][c:22]1[N:23]1[CH2:24][CH2:25][CH2:26][CH2:27]1
참가 물질출처 및 근거반응 노트

참가 물질

6

반응물 5

HCID 6228DimethylformamideHCID 9886HexafluorophosphateHCID 124335Benzotriazol-1-yloxy-tris(dimethylamino)phosphoniumHCID 579191601-(2,2-Dimethyl-[1,3]dioxolan-4-ylmethyl)-1H-pyrazol-3-ylamineHCID 675037812-[3-(2-fluoro-3-pyrrolidin-1-ylphenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methylpentanoic acid

생성물 1

HCID 178445152
N-[1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]pyrazol-3-yl]-2-[3-(2-fluoro-3-pyrrolidin-1-ylphenoxy)-5-oxo-2H-pyrrol-1-yl]-4-methylpentanamide

출처 및 근거

ORD 기록
ord-2e0538add9b24d87b27d157fe474c777
출처 데이터셋
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI
10.1039/C8SC04228D

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