HRID1641919

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOC(=O)c1ccc(N2CCC(NC(=O)n3ccnc3)CC2)nc1

HCID66736542

未命名化合物

结构：N[C@@H]1CCN(c2nc(NCC(c3ccccc3)c3ccccc3)c3ncn([C@@H]4C[C@H](n5cc(CO)cn5)[C@@H](O)[C@H]4O)c3n2)C1.O=C(O)C(F)(F)F

HCID66737003

未命名化合物

结构：Cc1cnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NC5CCC(NC(=O)NC6CCN(c7ccccn7)CC6)CC5)nc43)[C@H](O)[C@@H]2O)c1.O=C(O)C(F)(F)F

HCID86622811

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc(N2CCC(NC(=O)N[C@@H]3CCN(c4nc(NCC(c5ccccc5)c5ccccc5)c5ncn([C@@H]6C[C@H](n7cc(CO)cn7)[C@@H](O)[C@H]6O)c5n4)C3)CC2)nc1.O=C(O)C(F)(F)F

HCID86622813

未命名化合物

PROCEDURE

实验过程

This compound is prepared from (1R,2S,3R,5S)-3-[2-((R)-3-amino-pyrrolidin-1-yl)-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(4-hydroxymethyl-pyrazol-1-yl)-cyclopentane-1,2-diol trifluoroacetate (Example 76) using a procedure analogous to that of 1-{4-[9-[(1R,2S,3R,4S)-2,3-dihydroxy-4-(4-methyl-pyrazol-1-yl)-cyclopentyl]-6-(2,2-diphenyl-ethylamino)-9H-purin-2-ylamino]-cyclohexyl}-3-(3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-4-yl)-urea trifluoroacetate (Example 42) replacing N-[1-(2-pyridinyl)-4-piperidinyl]-1H-imidazole-1-carboxamide with 4-[(imidazole-1-carbonyl)-amino]-3,4,5,6-tetrahydro-2H-[1,2′]bipyridinyl-5′-carboxylic acid ethyl ester. MS (ES+) m/e 436 (MH+/2).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d3fdde8135494ca5ba4134b95ae9ad6d
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

[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[NH2:8][C@@H:9]1[CH2:13][CH2:12][N:11]([C:14]2[N:22]=[C:21]3[C:17]([N:18]=[CH:19][N:20]3[C@@H:23]3[CH2:27][C@H:26]([N:28]4[CH:32]=[C:31]([CH2:33][OH:34])[CH:30]=[N:29]4)[C@@H:25]([OH:35])[C@H:24]3[OH:36])=[C:16]([NH:37][CH2:38][CH:39]([C:46]3[CH:51]=[CH:50][CH:49]=[CH:48][CH:47]=3)[C:40]3[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=3)[N:15]=2)[CH2:10]1.FC(F)(F)C(O)=O.O[C@@H]1[C@H](O)[C@@H](N2C=C(C)C=N2)C[C@H]1N1C=NC2C1=NC(NC1CCC(NC(NC3CCN(C4C=CC=CN=4)CC3)=O)CC1)=NC=2NCC(C1C=CC=CC=1)C1C=CC=CC=1.[CH2:119]([O:121][C:122]([C:124]1[CH:125]=[CH:126][C:127]([N:130]2[CH2:135][CH2:134][CH:133]([NH:136][C:137](N3C=CN=C3)=[O:138])[CH2:132][CH2:131]2)=[N:128][CH:129]=1)=[O:123])[CH3:120]>>[F:1][C:2]([F:7])([F:6])[C:3]([OH:5])=[O:4].[CH2:119]([O:121][C:122]([C:124]1[CH:125]=[CH:126][C:127]([N:130]2[CH2:135][CH2:134][CH:133]([NH:136][C:137]([NH:8][C@@H:9]3[CH2:13][CH2:12][N:11]([C:14]4[N:22]=[C:21]5[C:17]([N:18]=[CH:19][N:20]5[C@@H:23]5[CH2:27][C@H:26]([N:28]6[CH:32]=[C:31]([CH2:33][OH:34])[CH:30]=[N:29]6)[C@@H:25]([OH:35])[C@H:24]5[OH:36])=[C:16]([NH:37][CH2:38][CH:39]([C:46]5[CH:47]=[CH:48][CH:49]=[CH:50][CH:51]=5)[C:40]5[CH:41]=[CH:42][CH:43]=[CH:44][CH:45]=5)[N:15]=4)[CH2:10]3)=[O:138])[CH2:132][CH2:131]2)=[N:128][CH:129]=1)=[O:123])[CH3:120]