HRID511462

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID53167

1-Methylpiperazine

C5H12N2

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(C)CC4)c4c3C(=O)N(C)C4)n2)c(OC)c1)OCC

HCID58292954

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 N-methylpiperazine. MS (ES+): m/z 678.34 (100) [MH+]; HPLC: tR=0.71 min (UPLC, purity).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d58141195c3f4be783ea1aa6d1dbc28b
来源数据集: uspto-grants-2015_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09096624B2
来源说明: uspto-grants-2015_08

反应 SMILES

Br[C:2]1[CH:3]=[CH:4][C:5]([NH:13][C:14]2[C:19]([C:20]([F:23])([F:22])[F:21])=[CH:18][N:17]=[C:16]([NH:24][C:25]3[CH:39]=[CH:38][C:28]([CH2:29][P:30](=[O:37])([O:34][CH2:35][CH3:36])[O:31][CH2:32][CH3:33])=[CH:27][C:26]=3[O:40][CH3:41])[N:15]=2)=[C:6]2[C:10]=1[CH2:9][N:8]([CH3:11])[C:7]2=[O:12].[CH3:42][N:43]1[CH2:48][CH2:47][NH:46][CH2:45][CH2:44]1>>[CH3:41][O:40][C:26]1[CH:27]=[C:28]([CH:38]=[CH:39][C:25]=1[NH:24][C:16]1[N:15]=[C:14]([NH:13][C:5]2[CH:4]=[CH:3][C:2]([N:46]3[CH2:47][CH2:48][N:43]([CH3:42])[CH2:44][CH2:45]3)=[C:10]3[C:6]=2[C:7](=[O:12])[N:8]([CH3:11])[CH2:9]3)[C:19]([C:20]([F:21])([F:23])[F:22])=[CH:18][N:17]=1)[CH2:29][P:30](=[O:37])([O:34][CH2:35][CH3:36])[O:31][CH2:32][CH3:33]