HRID1641924

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID13128

1,2-Propanediamine, 2-methyl-

C4H12N2

结构：NC1CCC(NC(=O)c2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](n5cc(CO)cn5)[C@@H](O)[C@H]4O)c3n2)CC1

HCID66735941

未命名化合物

结构：COC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3C[C@H](n4cc(CO)cn4)C(O)C3O)c2n1

HCID66736043

未命名化合物

PRODUCTS

生成物

结构：CC(C)(N)CNC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3C[C@H](n4cc(CO)cn4)[C@@H](O)[C@H]3O)c2n1

HCID66735763

未命名化合物

PROCEDURE

实验过程

This compound is prepared from 9-[(1R,4S)-2,3-dihydroxy-4-(4-hydroxymethyl-pyrazol-1-yl)-cyclopentyl]-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid methyl ester (Example 62) using a procedure analogous to that of 9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-(4-hydroxymethyl-pyrazol-1-yl)-cyclopentyl]-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid (4-amino-cyclohexyl)-amide (Example 83, first step a) replacing trans-1,4-diaminocyclohexane with 1,2-diamino-2-methylpropane.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0f45617f1e47468987cf5ff5edfa61b4
来源数据集: uspto-grants-2012_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08114877B2
来源说明: uspto-grants-2012_02

反应 SMILES

COC(C1N=[C:12]2[C:8]([N:9]=CN2[C@@H]2C[C@H](N3C=C(CO)C=N3)C(O)C2O)=[C:7](NCC(C2C=CC=CC=2)C2C=CC=CC=2)N=1)=O.NC1CC[CH:47]([NH:50][C:51]([C:53]2[N:61]=[C:60]3[C:56]([N:57]=[CH:58][N:59]3[C@@H:62]3[CH2:66][C@H:65]([N:67]4[CH:71]=[C:70]([CH2:72][OH:73])[CH:69]=[N:68]4)[C@@H:64]([OH:74])[C@H:63]3[OH:75])=[C:55]([NH:76][CH2:77][CH:78]([C:85]3[CH:90]=[CH:89][CH:88]=[CH:87][CH:86]=3)[C:79]3[CH:84]=[CH:83][CH:82]=[CH:81][CH:80]=3)[N:54]=2)=[O:52])CC1.NCC(N)(C)C>>[NH2:9][C:8]([CH3:12])([CH3:7])[CH2:47][NH:50][C:51]([C:53]1[N:61]=[C:60]2[C:56]([N:57]=[CH:58][N:59]2[C@@H:62]2[CH2:66][C@H:65]([N:67]3[CH:71]=[C:70]([CH2:72][OH:73])[CH:69]=[N:68]3)[C@@H:64]([OH:74])[C@H:63]2[OH:75])=[C:55]([NH:76][CH2:77][CH:78]([C:85]2[CH:90]=[CH:89][CH:88]=[CH:87][CH:86]=2)[C:79]2[CH:80]=[CH:81][CH:82]=[CH:83][CH:84]=2)[N:54]=1)=[O:52]