HRID2063377

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3nc(C4(O)COC4)n(CC)c3n2)cc1

HCID52916785

未命名化合物

结构：C[C@H]1COCCN1c1nc(Cl)nc2c1nc(C1(O)CN(C(=O)OC(C)(C)C)C1)n2C

HCID58222522

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1ccc(-c2nc(N3CCOC[C@@H]3C)c3nc(C4(O)CN(C(=O)OC(C)(C)C)C4)n(C)c3n2)cc1

HCID58222521

未命名化合物

PROCEDURE

实验过程

This compound (w-2) was prepared in an analogous fashion to (S)-1-ethyl-3-(4-(8-(3-hydroxyoxetan-3-yl)-9-ethyl-6-(3-methylmorpholino)-9H-purin-2-yl)phenyl)urea, using (S)-tert-butyl 3-(2-chloro-9-methyl-6-(3-methylmorpho-lino)-9H-purin-8-yl)-3-hydroxyazetidine-1-carboxylate as the starting material. LC-MS m/z (method A)=567.4 [M+H]+, RT=2.44 min.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-680feb40faf243fa8a92871f29dc7407
来源数据集: uspto-grants-2012_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08288381B2
来源说明: uspto-grants-2012_10

反应 SMILES

[CH2:1]([NH:3][C:4]([NH:6][C:7]1[CH:12]=[CH:11][C:10]([C:13]2[N:21]=[C:20]3[C:16]([N:17]=[C:18]([C:24]4([OH:28])CO[CH2:25]4)[N:19]3[CH2:22]C)=[C:15]([N:29]3[CH2:34][CH2:33][O:32][CH2:31][C@@H:30]3[CH3:35])[N:14]=2)=[CH:9][CH:8]=1)=[O:5])[CH3:2].ClC1N=C2C(N=C(C3(O)C[N:49]([C:51]([O:53][C:54]([CH3:57])([CH3:56])[CH3:55])=[O:52])[CH2:48]3)N2C)=C(N2CCOC[C@@H]2C)N=1>>[CH2:1]([NH:3][C:4](=[O:5])[NH:6][C:7]1[CH:8]=[CH:9][C:10]([C:13]2[N:21]=[C:20]3[C:16]([N:17]=[C:18]([C:24]4([OH:28])[CH2:25][N:49]([C:51]([O:53][C:54]([CH3:57])([CH3:56])[CH3:55])=[O:52])[CH2:48]4)[N:19]3[CH3:22])=[C:15]([N:29]3[CH2:34][CH2:33][O:32][CH2:31][C@@H:30]3[CH3:35])[N:14]=2)=[CH:11][CH:12]=1)[CH3:2]