HRID1044930

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCCCOc1nc(N)c2nc(OC)n(CCCC3CCCCN3C(=O)OCc3ccccc3)c2n1

HCID58306132

未命名化合物

HCID58306239

未命名化合物

结构：CCCCOc1nc(N)c2nc(OC)[nH]c2n1.O=C(O)C(F)(F)F

HCID178450370

未命名化合物

PRODUCTS

生成物

结构：CCCCOc1nc(N)c2nc(OC)n(CCCCCC3CCN(C(=O)OCc4ccccc4)CC3)c2n1

HCID58306175

未命名化合物

PROCEDURE

实验过程

Prepared similarly to Intermediate 31 from 2-(butyloxy)-8-(methyloxy)-9H-purin-6-amine trifluoroacetate and phenylmethyl 4-(5-bromopentyl)-1-piperidinecarboxylate. LCMS (System B): tRET=3.31 min; MH+ 525

WORKUP

后处理

custom=3.31 min

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-68f6533690d04170b2ba30fd27f100c2
来源数据集: uspto-grants-2013_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08563717B2
来源说明: uspto-grants-2013_10

反应 SMILES

[NH2:1][C:2]1[N:10]=[C:9]([O:11][CH2:12][CH2:13][CH2:14][CH3:15])[N:8]=[C:7]2[C:3]=1[N:4]=[C:5]([O:35][CH3:36])[N:6]2[CH2:16][CH2:17][CH2:18][CH:19]1[CH2:24][CH2:23][CH2:22][CH2:21][N:20]1[C:25]([O:27][CH2:28][C:29]1[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=1)=[O:26].F[C:38](F)(F)[C:39](O)=O.C(OC1N=C2C(N=C(OC)N2)=C(N)N=1)CCC.BrCCCCCC1CCN(C(OCC2C=CC=CC=2)=O)CC1>>[NH2:1][C:2]1[N:10]=[C:9]([O:11][CH2:12][CH2:13][CH2:14][CH3:15])[N:8]=[C:7]2[C:3]=1[N:4]=[C:5]([O:35][CH3:36])[N:6]2[CH2:16][CH2:17][CH2:18][CH2:19][CH2:24][CH:23]1[CH2:39][CH2:38][N:20]([C:25]([O:27][CH2:28][C:29]2[CH:34]=[CH:33][CH:32]=[CH:31][CH:30]=2)=[O:26])[CH2:21][CH2:22]1