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Ethyl hydrogen (4-{[4-({2-(diethylcarbamoyl)-4-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]phenyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate → Ethyl hydrogen (4-{[4-({6-fluoro-7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate

HRID 2279799
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HRID 2279799 반응식
C(N(CC)C(C1C=C(C2C=NN(CCCO)C=2)C=CC=1NC1C(C(F)(F)F)=CN=C(NC2C=CC(CP(=O)(O)OCC)=CC=2OC)N=1)=O)C.[F:50][C:51]1[C:59]([C:60]2[CH:61]=[N:62][N:63]([CH2:65][CH2:66][CH2:67][OH:68])[CH:64]=2)=[C:58]2[C:54]([C:55](=[O:70])[N:56]([CH3:69])[CH2:57]2)=[C:53]([NH:71][C:72]2[C:77]([C:78]([F:81])([F:80])[F:79])=[CH:76][N:75]=[C:74]([NH:82][C:83]3[CH:97]=[CH:96][C:86]([CH2:87][P:88](=[O:95])([O:92]CC)[O:89][CH2:90][CH3:91])=[CH:85][C:84]=3[O:98][CH3:99])[N:73]=2)[CH:52]=1>>[F:50][C:51]1[C:59]([C:60]2[CH:61]=[N:62][N:63]([CH2:65][CH2:66][CH2:67][OH:68])[CH:64]=2)=[C:58]2[C:54]([C:55](=[O:70])[N:56]([CH3:69])[CH2:57]2)=[C:53]([NH:71][C:72]2[C:77]([C:78]([F:81])([F:79])[F:80])=[CH:76][N:75]=[C:74]([NH:82][C:83]3[CH:97]=[CH:96][C:86]([CH2:87][P:88](=[O:92])([OH:95])[O:89][CH2:90][CH3:91])=[CH:85][C:84]=3[O:98][CH3:99])[N:73]=2)[CH:52]=1
참가 물질실험 절차후처리출처 및 근거반응 노트

참가 물질

3

반응물 2

HCID 86697678Ethyl hydrogen (4-{[4-({2-(diethylcarbamoyl)-4-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]phenyl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonateHCID 86697744diethyl (4-{[4-({6-fluoro-7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate2회

생성물 1

HCID 86697743
Ethyl hydrogen (4-{[4-({6-fluoro-7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate

실험 절차

This compound was prepared analogously to Compound 3A using diethyl (4-{[4-({6-fluoro-7-[1-(3-hydroxypropyl)-1H-pyrazol-4-yl]-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl}amino)-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate (Compound 31B). MS (ESI): m/z=694.21 [M+H]+. UPLC: tR=1.13 min (UPLC-TOF: polar—3 min).

후처리

  1. customtR=1.13 min (UPLC-TOF: polar—3 min)

출처 및 근거

ORD 기록
ord-f94de7611aff44dc894f6a9c58c03e90
출처 데이터셋
uspto-grants-2015_09
DOI
10.6084/m9.figshare.5104873.v1
특허 번호
US09133224B2

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