HRID1948031

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2757326

tert-Butyl (piperazin-1-yl)acetate

C10H20N2O2

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(Br)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC

HCID58293036

未命名化合物

PRODUCTS

生成物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(N4CCN(CC(=O)OC(C)(C)C)CC4)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC

HCID58293028

未命名化合物

PROCEDURE

实验过程

The title compound was prepared according to the procedure for Example 199 using Diethyl[4-({4-[(7-bromo-2-methyl-3-oxo-2,3-dihydro-1H-isoindol-4-yl)amino]-5-(trifluoromethyl)pyrimidin-2-yl}amino)-3-methoxybenzyl]phosphonate and piperazine-1-acetic acid tert-butyl ester. MS (ES+): m/z 778.42 (100) [MH+]; HPLC: tR=0.86 min (UPLC, purity).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c9b02b8ef4e64eab951268d6c14d9b89
来源数据集: uspto-grants-2013_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08399433B2
来源说明: uspto-grants-2013_03

反应 SMILES

[CH2:1]([O:3][P:4]([CH2:9][C:10]1[CH:15]=[CH:14][C:13]([NH:16][C:17]2[N:22]=[C:21]([NH:23][C:24]3[CH:32]=[CH:31][C:30](Br)=[C:29]4[C:25]=3[C:26](=[O:35])[N:27]([CH3:34])[CH2:28]4)[C:20]([C:36]([F:39])([F:38])[F:37])=[CH:19][N:18]=2)=[C:12]([O:40][CH3:41])[CH:11]=1)(=[O:8])[O:5][CH2:6][CH3:7])[CH3:2].[C:42]([O:46][C:47](=[O:55])[CH2:48][N:49]1[CH2:54][CH2:53][NH:52][CH2:51][CH2:50]1)([CH3:45])([CH3:44])[CH3:43]>>[C:42]([O:46][C:47](=[O:55])[CH2:48][N:49]1[CH2:50][CH2:51][N:52]([C:30]2[CH:31]=[CH:32][C:24]([NH:23][C:21]3[C:20]([C:36]([F:37])([F:39])[F:38])=[CH:19][N:18]=[C:17]([NH:16][C:13]4[CH:14]=[CH:15][C:10]([CH2:9][P:4]([O:5][CH2:6][CH3:7])([O:3][CH2:1][CH3:2])=[O:8])=[CH:11][C:12]=4[O:40][CH3:41])[N:22]=3)=[C:25]3[C:29]=2[CH2:28][N:27]([CH3:34])[C:26]3=[O:35])[CH2:53][CH2:54]1)([CH3:45])([CH3:43])[CH3:44]