HRID1697019

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID67019311

未命名化合物

结构：CCC(=O)N[C@H]1C[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)N[C@@H]4CCN(c5ccccn5)C4)nc32)[C@H](O)[C@@H]1O.O=C(O)C(F)(F)F

HCID86622650

未命名化合物

PRODUCTS

生成物

HCID86622648

未命名化合物

PROCEDURE

实验过程

This 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 {2-[3-((R)-1-pyridin-2-yl-pyrrolidin-3-yl)-ureido]-ethyl}-amide trifluoroacetate by replacing 1-(2-amino-ethyl)-3-((R)-1-pyridin-2-yl-pyrrolidin-3-yl)-urea with 1-(2-amino-ethyl)-3-((S)-1-pyridin-2-yl-pyrrolidin-3-yl)-urea.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9583e24f62904cf7a7e59647f93ae11e
来源数据集: uspto-grants-2012_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08163754B2
来源说明: uspto-grants-2012_04

反应 SMILES

[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[N:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[N:14]1[CH2:18][CH2:17][C@@H:16]([NH:19][C:20](=[O:63])[NH:21][CH2:22][CH2:23][NH:24][C:25]([C:27]2[N:35]=[C:34]3[C:30]([N:31]=[CH:32][N:33]3[C@@H:36]3[CH2:40][C@H:39]([NH:41][C:42](=[O:45])[CH2:43][CH3:44])[C@@H:38]([OH:46])[C@H:37]3[OH:47])=[C:29]([NH:48][CH2:49][CH:50]([C:57]3[CH:62]=[CH:61][CH:60]=[CH:59][CH:58]=3)[C:51]3[CH:56]=[CH:55][CH:54]=[CH:53][CH:52]=3)[N:28]=2)=[O:26])[CH2:15]1.NCCNC(N[C@H]1CCN(C2C=CC=CN=2)C1)=O>>[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[N:8]1[CH:13]=[CH:12][CH:11]=[CH:10][C:9]=1[N:14]1[CH2:18][CH2:17][C@H:16]([NH:19][C:20](=[O:63])[NH:21][CH2:22][CH2:23][NH:24][C:25]([C:27]2[N:35]=[C:34]3[C:30]([N:31]=[CH:32][N:33]3[C@@H:36]3[CH2:40][C@H:39]([NH:41][C:42](=[O:45])[CH2:43][CH3:44])[C@@H:38]([OH:46])[C@H:37]3[OH:47])=[C:29]([NH:48][CH2:49][CH:50]([C:57]3[CH:58]=[CH:59][CH:60]=[CH:61][CH:62]=3)[C:51]3[CH:52]=[CH:53][CH:54]=[CH:55][CH:56]=3)[N:28]=2)=[O:26])[CH2:15]1