HRID1919016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(=O)OCc1c(B2OC(C)(C)C(C)(C)O2)cccc1N1CCc2c(sc3c2CCCC3)C1=O

HCID58043718

未命名化合物

结构：CC(C)N1CCN(c2ccc(Nc3cc(Br)cn(C)c3=O)nc2)CC1

HCID58043758

2(1H)-Pyridinone, 5-bromo-1-methyl-3-[[5-[4-(1-methylethyl)-1-piperazinyl]-2-pyridinyl]amino]-

C18H24BrN5O

结构：CC(=O)OCc1c(-c2cc(Nc3ccc(F)cn3)c(=O)n(C)c2)cccc1N1CCn2c(cc3c2CCCC3)C1=O

HCID68096595

未命名化合物

PRODUCTS

生成物

结构：CC(=O)OCc1c(-c2cc(Nc3ccc(N4CCN(C(C)C)CC4)cn3)c(=O)n(C)c2)cc(F)cc1N1CCc2c(sc3c2CCCC3)C1=O

HCID67016294

未命名化合物

PROCEDURE

实验过程

Following the procedures as described for 148b and starting with 400 mg of (4-fluoro-2-{6-oxo-8-thia-5-azatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-5-yl}-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methyl acetate 212b and 340 mg 5-bromo-3-(5-(4-isopropylpiperazin-1-yl)pyridin-2-ylamino)-1-methylpyridin-2(1H)-one 220a, compound 220b was obtained as a yellow solid (446 mg, 82%).MS: [M+H]+ 699

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dd7fa3b5639349b495431bfe39d45d0f
来源数据集: uspto-grants-2013_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08618107B2
来源说明: uspto-grants-2013_12

反应 SMILES

C(OCC1C(N2CCN3C4CCCCC=4C=C3C2=O)=CC=CC=1C1C=C(NC2C=CC([F:39])=CN=2)C(=O)N(C)C=1)(=O)C.[C:42]([O:45][CH2:46][C:47]1[C:52](B2OC(C)(C)C(C)(C)O2)=[CH:51][CH:50]=[CH:49][C:48]=1[N:62]1[C:74](=[O:75])[C:73]2[S:72][C:71]3[CH2:70][CH2:69][CH2:68][CH2:67][C:66]=3[C:65]=2[CH2:64][CH2:63]1)(=[O:44])[CH3:43].Br[C:77]1[CH:78]=[C:79]([NH:85][C:86]2[CH:91]=[CH:90][C:89]([N:92]3[CH2:97][CH2:96][N:95]([CH:98]([CH3:100])[CH3:99])[CH2:94][CH2:93]3)=[CH:88][N:87]=2)[C:80](=[O:84])[N:81]([CH3:83])[CH:82]=1>>[C:42]([O:45][CH2:46][C:47]1[C:48]([N:62]2[C:74](=[O:75])[C:73]3[S:72][C:71]4[CH2:70][CH2:69][CH2:68][CH2:67][C:66]=4[C:65]=3[CH2:64][CH2:63]2)=[CH:49][C:50]([F:39])=[CH:51][C:52]=1[C:77]1[CH:78]=[C:79]([NH:85][C:86]2[CH:91]=[CH:90][C:89]([N:92]3[CH2:97][CH2:96][N:95]([CH:98]([CH3:100])[CH3:99])[CH2:94][CH2:93]3)=[CH:88][N:87]=2)[C:80](=[O:84])[N:81]([CH3:83])[CH:82]=1)(=[O:44])[CH3:43]