HRID2279830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCOP(=O)(Cc1ccc(Nc2ncc(C(F)(F)F)c(Nc3ccc(Br)nc3C(=O)NC)n2)c(OC)c1)OCC1(Cn2cc(B3OC(C)(C)C(C)(C)O3)cn2)COC1

HCID86697768

未命名化合物

结构：CCNC(=O)c1nc(Br)ccc1Nc1nc(Nc2ccc(CP(=O)(O)OCC)cc2OC)ncc1C(F)(F)F

HCID86697769

未命名化合物

2 次

PRODUCTS

生成物

结构：CCNC(=O)c1nc(Br)ccc1Nc1nc(Nc2ccc(CP(=O)(OCC)OCC3(Cn4cc(B5OC(C)(C)C(C)(C)O5)cn4)COC3)cc2OC)ncc1C(F)(F)F

HCID86697767

未命名化合物

收率 34%

PROCEDURE

实验过程

Racemic Compound 45A was prepared analogously to Compound 44A using ethyl hydrogen (4-{[4-{[6-bromo-2-(ethylcarbamoyl)pyridin-3-yl]amino}-5-(trifluoromethyl)pyrimidin-2-yl]amino}-3-methoxybenzyl)phosphonate (Compound 45B, 78.1 mg, 0.123 mmol) to afford 37.7 mg of the title compound (34%). MS (ESI): m/z=909.40/991.51 [M+H]+. UPLC: tR=1.60 min (UPLC-TOF: polar—2 min).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a90a7f4e5d9943b1a80a935590967b12
来源数据集: uspto-grants-2015_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09133224B2
来源说明: uspto-grants-2015_09

反应 SMILES

[Br:1][C:2]1[N:7]=[C:6]([C:8](=[O:11])[NH:9][CH3:10])[C:5]([NH:12][C:13]2[C:18]([C:19]([F:22])([F:21])[F:20])=[CH:17][N:16]=[C:15]([NH:23][C:24]3[CH:56]=[CH:55][C:27]([CH2:28][P:29](=[O:54])([O:33][CH2:34][C:35]4([CH2:39][N:40]5[CH:44]=[C:43]([B:45]6[O:49][C:48]([CH3:51])([CH3:50])[C:47]([CH3:53])([CH3:52])[O:46]6)[CH:42]=[N:41]5)[CH2:38][O:37][CH2:36]4)[O:30][CH2:31][CH3:32])=[CH:26][C:25]=3[O:57][CH3:58])[N:14]=2)=[CH:4][CH:3]=1.Br[C:60]1N=C(C(=O)NCC)C(NC2C(C(F)(F)F)=CN=C(NC3C=CC(CP(=O)(O)OCC)=CC=3OC)N=2)=CC=1>>[Br:1][C:2]1[N:7]=[C:6]([C:8](=[O:11])[NH:9][CH2:10][CH3:60])[C:5]([NH:12][C:13]2[C:18]([C:19]([F:21])([F:20])[F:22])=[CH:17][N:16]=[C:15]([NH:23][C:24]3[CH:56]=[CH:55][C:27]([CH2:28][P:29](=[O:54])([O:33][CH2:34][C:35]4([CH2:39][N:40]5[CH:44]=[C:43]([B:45]6[O:49][C:48]([CH3:50])([CH3:51])[C:47]([CH3:53])([CH3:52])[O:46]6)[CH:42]=[N:41]5)[CH2:38][O:37][CH2:36]4)[O:30][CH2:31][CH3:32])=[CH:26][C:25]=3[O:57][CH3:58])[N:14]=2)=[CH:4][CH:3]=1