HRID1771570

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC1(C)OB(c2ccc(NC(=O)NC3CC3)cc2F)OC1(C)C

HCID66679229

未命名化合物

2 次

结构：CSc1nc(-c2cncc(F)c2)cc(N2CCOC[C@@H]2C)n1

HCID67382782

未命名化合物

结构：C[C@H]1COCCN1c1cc(-c2cncc(F)c2)nc(Cl)n1

HCID86691143

未命名化合物

2 次

PRODUCTS

生成物

结构：C[C@H]1COCCN1c1cc(-c2cncc(F)c2)nc(-c2ccc(NC(=O)NC3CC3)cc2F)n1

HCID53379769

未命名化合物

PROCEDURE

实验过程

Method as described for intermediate 5 using (S)-4-(2-chloro-6-(5-fluoropyridin-3-yl)pyrimidin-4-yl)-3-methylmorpholine (intermediate 7) and 1-cyclopropyl-3-(3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea (intermediate 11). Material was purified by prep HPLC twice (low pH) followed by purification using a TsOH cartridge (100 mg) to afford a yellow solid, (4.5 mg, 15%)

WORKUP

后处理

customMaterial was purified by prep HPLC twice (low pH)
customfollowed by purification
customto afford a yellow solid, (4.5 mg, 15%)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4e3fdfd620f8482696571ef061d9a010
来源数据集: uspto-grants-2016_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09249129B2
来源说明: uspto-grants-2016_02

反应 SMILES

[F:1][C:2]1[CH:3]=[C:4]([C:8]2[N:13]=[C:12](SC)[N:11]=[C:10]([N:16]3[CH2:21][CH2:20][O:19][CH2:18][C@@H:17]3[CH3:22])[CH:9]=2)[CH:5]=[N:6][CH:7]=1.ClC1N=C(N2CCOC[C@@H]2C)C=C(C2C=NC=C(F)C=2)N=1.[CH:44]1([NH:47][C:48]([NH:50][C:51]2[CH:56]=[CH:55][C:54](B3OC(C)(C)C(C)(C)O3)=[C:53]([F:66])[CH:52]=2)=[O:49])[CH2:46][CH2:45]1>>[CH:44]1([NH:47][C:48]([NH:50][C:51]2[CH:56]=[CH:55][C:54]([C:12]3[N:13]=[C:8]([C:4]4[CH:5]=[N:6][CH:7]=[C:2]([F:1])[CH:3]=4)[CH:9]=[C:10]([N:16]4[CH2:21][CH2:20][O:19][CH2:18][C@@H:17]4[CH3:22])[N:11]=3)=[C:53]([F:66])[CH:52]=2)=[O:49])[CH2:46][CH2:45]1