HRID2382436

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21978278

未命名化合物

结构：CC(C)(C)OC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCN(c5ccccn5)CC4)nc32)[C@H](O)[C@@H]1O

HCID24863127

未命名化合物

结构：O=C(NC1CCN(c2ccccn2)CC1)N1CCC(NC(=O)n2ccnc2)CC1

HCID66630314

未命名化合物

2 次

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCN(C(=O)NC5CCN(c6ccccn6)CC5)CC4)nc32)[C@H](O)[C@@H]1O

HCID86647556

未命名化合物

PROCEDURE

实验过程

The title compound is prepared analogously to [(1S,2R,3S,4R)-4-(6-(2,2-diphenyl-ethylamino)-2-{2-[3-(3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-yl)-ureido]-ethylcarbamoyl}-purin-9-yl)-2,3-dihydroxy-cyclopentyl]-carbamic acid tert-butyl ester (Example 12) by replacing imidazole-1-carboxylic acid (3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-yl)-amide (Intermediate C) with 4-[(imidazole-1-carbonyl)-amino]-piperidine-1-carboxylic acid (3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-yl)-amide (Intermediate H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a95ea49edfa446ddaf4fee26d80bb8ba
来源数据集: uspto-grants-2012_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08258141B2
来源说明: uspto-grants-2012_09

反应 SMILES

[C:1]([O:5][C:6](=[O:60])[NH:7][C@H:8]1[CH2:12][C@@H:11]([N:13]2[CH:21]=[N:20][C:19]3[C:14]2=[N:15][C:16]([C:37](=[O:57])[NH:38][CH2:39][CH2:40][NH:41][C:42]([NH:44][CH:45]2CCN(C4C=CC=CN=4)C[CH2:46]2)=[O:43])=[N:17][C:18]=3[NH:22][CH2:23][CH:24]([C:31]2[CH:36]=[CH:35][CH:34]=[CH:33][CH:32]=2)[C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[C@H:10]([OH:58])[C@@H:9]1[OH:59])([CH3:4])([CH3:3])[CH3:2].[N:61]1([C:75]2[CH:80]=[CH:79][CH:78]=[CH:77][N:76]=2)[CH2:66][CH2:65][CH:64]([NH:67][C:68]([N:70]2[CH:74]=[CH:73]N=[CH:71]2)=[O:69])[CH2:63][CH2:62]1.N1(C2C=CC=CN=2)CCC(NC(N2CCC(NC(N3C=CN=C3)=O)CC2)=O)CC1>>[C:1]([O:5][C:6](=[O:60])[NH:7][C@H:8]1[CH2:12][C@@H:11]([N:13]2[CH:21]=[N:20][C:19]3[C:14]2=[N:15][C:16]([C:37](=[O:57])[NH:38][CH2:39][CH2:40][NH:41][C:42]([NH:44][CH:45]2[CH2:46][CH2:71][N:70]([C:68](=[O:69])[NH:67][CH:64]4[CH2:63][CH2:62][N:61]([C:75]5[CH:80]=[CH:79][CH:78]=[CH:77][N:76]=5)[CH2:66][CH2:65]4)[CH2:74][CH2:73]2)=[O:43])=[N:17][C:18]=3[NH:22][CH2:23][CH:24]([C:31]2[CH:32]=[CH:33][CH:34]=[CH:35][CH:36]=2)[C:25]2[CH:30]=[CH:29][CH:28]=[CH:27][CH:26]=2)[C@H:10]([OH:58])[C@@H:9]1[OH:59])([CH3:2])([CH3:3])[CH3:4]