HRID2281821

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(=O)OC1CCN(c2ccc(B3OC(C)(C)C(C)(C)O3)cc2)CC1

HCID66730348

未命名化合物

结构：COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(I)n[nH]c3c1)C(=O)N2

HCID178487035

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)[C@]1(C[C@H]1c1ccc3c(-c4ccc(N5CCC(OC(C)=O)CC5)cc4)n[nH]c3c1)C(=O)N2

HCID67448437

未命名化合物

收率 41%

PROCEDURE

实验过程

The title compound was synthesized according to the method described for example A45 except reacting a (1R*,2S*)-2-(3-iodo-1H-indazol-6-yl)-5′-methoxyspiro[cyclopropane-1,3′-indolin]-2′-one (76 mg, 0.18 mmol) with 1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)piperidin-4-yl acetate (67 mg, 0.19 mmol). Crude product was purified by flash chromatography using EtOAc/Hexanes (2:3 to 1:0) to give the title compound as a yellow solid (38 mg, 41%). MS ESI 523.3 [M+H]+, calcd for [C31H30N4O4+H]+ 523.23.

WORKUP

后处理

customThe title compound was synthesized
customCrude product was purified by flash chromatography

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a3cb1cacdb704edbbc74123099dd7501
来源数据集: uspto-grants-2015_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09139563B2
来源说明: uspto-grants-2015_09

反应 SMILES

I[C:2]1[C:10]2[C:5](=[CH:6][C:7]([C@H:11]3[C@@:13]4([C:21]5[C:16](=[CH:17][CH:18]=[C:19]([O:22][CH3:23])[CH:20]=5)[NH:15][C:14]4=[O:24])[CH2:12]3)=[CH:8][CH:9]=2)[NH:4][N:3]=1.[C:25]([O:28][CH:29]1[CH2:34][CH2:33][N:32]([C:35]2[CH:40]=[CH:39][C:38](B3OC(C)(C)C(C)(C)O3)=[CH:37][CH:36]=2)[CH2:31][CH2:30]1)(=[O:27])[CH3:26]>>[C:25]([O:28][CH:29]1[CH2:30][CH2:31][N:32]([C:35]2[CH:40]=[CH:39][C:38]([C:2]3[C:10]4[C:5](=[CH:6][C:7]([C@H:11]5[C@@:13]6([C:21]7[C:16](=[CH:17][CH:18]=[C:19]([O:22][CH3:23])[CH:20]=7)[NH:15][C:14]6=[O:24])[CH2:12]5)=[CH:8][CH:9]=4)[NH:4][N:3]=3)=[CH:37][CH:36]=2)[CH2:33][CH2:34]1)(=[O:27])[CH3:26]