HRID2382434

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)OC)nc32)[C@H](O)[C@@H]1O

HCID66629712

未命名化合物

结构：Cl.NCCNC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3C[C@H](N)[C@@H](O)[C@H]3O)c2n1

HCID66630567

未命名化合物

结构：COC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2nc[nH]c2n1.Cl

HCID178499113

未命名化合物

PRODUCTS

生成物

结构：CCC(=O)NCCNC(=O)c1nc(NCC(c2ccccc2)c2ccccc2)c2ncn([C@@H]3C[C@H](NC(=O)CC)[C@@H](O)[C@H]3O)c2n1

HCID66630975

未命名化合物

PROCEDURE

实验过程

The title compound is prepared analogously to 9-((1R,2S,3R,4S)-2,3-dihydroxy-4-propionylamino-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid methyl ester (Example 48 step 7) by replacing 9-(1R,2S,3R,4S)-,4-amino-2,3-dihydroxy-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid methyl ester hydrochloride with 9-((1R,2S,3R,4S)-4-amino-2,3-dihydroxy-cyclopentyl)-6-(2,2-diphenyl-ethylamino)-9H-purine-2-carboxylic acid (2-amino-ethyl)-amide hydrochloride. (MH+ 629.5)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ef33750c1acf47fd964421043acbdebe
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

CO[C:3]([C:5]1[N:13]=[C:12]2[C:8]([N:9]=[CH:10][N:11]2[C@@H:14]2[CH2:18][C@H:17]([NH:19][C:20](=[O:23])[CH2:21][CH3:22])[C@@H:16]([OH:24])[C@H:15]2[OH:25])=[C:7]([NH:26][CH2:27][CH:28]([C:35]2[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=2)[C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)[N:6]=1)=[O:4].Cl.COC(C1N=C2[C:49]([N:50]=CN2)=[C:48]([NH:55][CH2:56][CH:57]([C:64]2C=CC=CC=2)C2C=CC=CC=2)N=1)=O.Cl.NCCNC(C1N=C2C(N=CN2[C@@H]2C[C@H](N)[C@@H](O)[C@H]2O)=C(NCC(C2C=CC=CC=2)C2C=CC=CC=2)N=1)=[O:76]>>[C:56]([NH:55][CH2:48][CH2:49][NH:50][C:3]([C:5]1[N:13]=[C:12]2[C:8]([N:9]=[CH:10][N:11]2[C@@H:14]2[CH2:18][C@H:17]([NH:19][C:20](=[O:23])[CH2:21][CH3:22])[C@@H:16]([OH:24])[C@H:15]2[OH:25])=[C:7]([NH:26][CH2:27][CH:28]([C:29]2[CH:30]=[CH:31][CH:32]=[CH:33][CH:34]=2)[C:35]2[CH:36]=[CH:37][CH:38]=[CH:39][CH:40]=2)[N:6]=1)=[O:4])(=[O:76])[CH2:57][CH3:64]