HRID1641936

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1514397

tert-Butyl (3R)-pyrrolidin-3-ylcarbamate

C9H18N2O2

结构：O=C(O)C(F)(F)F.OCc1cnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCN5CCCCC5)nc43)[C@H](O)[C@@H]2O)c1

HCID66735860

未命名化合物

结构：CCc1nnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(Cl)nc43)[C@H](O)[C@@H]2O)n1

HCID86622803

未命名化合物

PRODUCTS

生成物

结构：CCc1nnn([C@H]2C[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N5CC[C@@H](NC(=O)OC(C)(C)C)C5)nc43)[C@H](O)[C@@H]2O)n1.O=C(O)C(F)(F)F

HCID66736219

未命名化合物

PROCEDURE

实验过程

This compound is prepared from (1R,2S,3R,5S)-3-[2-chloro-6-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-(5-ethyl-tetrazol-2-yl)-cyclopentane-1,2-diol (BA6) using a procedure analogous to that of (1R,2S,3R,5S)-3-[6-(2,2-diphenyl-ethylamino)-2-(2-piperidin-1-yl-ethylamino)-purin-9-yl]-5-(4-hydroxymethyl-pyrazol-1-yl)-cyclopentane-1,2-diol trifluoroacetate (Example 46) replacing 1-(2-amino-ethyl)piperidine with (3R)-(+)-3-(BOC-amino)pyrrolidine. MS (ES+) m/e 696 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ba9958fb1c1546d3b953fda3458774dc
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

Cl[C:2]1[N:10]=[C:9]2[C:5]([N:6]=[CH:7][N:8]2[C@@H:11]2[CH2:15][C@H:14]([N:16]3[N:20]=[N:19][C:18]([CH2:21][CH3:22])=[N:17]3)[C@@H:13]([OH:23])[C@H:12]2[OH:24])=[C:4]([NH:25][CH2:26][CH:27]([C:34]2[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=2)[C:28]2[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=2)[N:3]=1.[F:40][C:41]([F:46])([F:45])[C:42]([OH:44])=[O:43].C1(C(C2C=CC=CC=2)CNC2N=C(NCCN3CCCCC3)N=C3C=2N=CN3[C@@H]2C[C@H](N3C=C(CO)C=N3)[C@@H](O)[C@H]2O)C=CC=CC=1.[C:94]([NH:101][C@@H:102]1[CH2:106][CH2:105][NH:104][CH2:103]1)([O:96][C:97]([CH3:100])([CH3:99])[CH3:98])=[O:95]>>[F:40][C:41]([F:46])([F:45])[C:42]([OH:44])=[O:43].[C:97]([O:96][C:94](=[O:95])[NH:101][C@@H:102]1[CH2:106][CH2:105][N:104]([C:2]2[N:10]=[C:9]3[C:5]([N:6]=[CH:7][N:8]3[C@@H:11]3[CH2:15][C@H:14]([N:16]4[N:20]=[N:19][C:18]([CH2:21][CH3:22])=[N:17]4)[C@@H:13]([OH:23])[C@H:12]3[OH:24])=[C:4]([NH:25][CH2:26][CH:27]([C:28]3[CH:33]=[CH:32][CH:31]=[CH:30][CH:29]=3)[C:34]3[CH:39]=[CH:38][CH:37]=[CH:36][CH:35]=3)[N:3]=2)[CH2:103]1)([CH3:100])([CH3:98])[CH3:99]