HRID1430251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID31275

1,4-Dioxane

C4H8O2

结构：CC(C)(C)OC(=O)c1nc(N2CCc3cccc(C(=O)Nc4nc5ccccc5s4)c3C2)ccc1B1OC(C)(C)C(C)(C)O1

HCID89498009

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(-c2ccc(N3CCc4cccc(C(=O)Nc5nc6ccccc6s5)c4C3)nc2C(=O)OC(C)(C)C)cc1Oc1ccccc1

HCID89498064

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

结构：Cl[Pd]Cl.[Fe+2].c1ccc(P(c2ccccc2)[c-]2cccc2)cc1.c1ccc(P(c2ccccc2)[c-]2cccc2)cc1

催化剂HCID178418228

未命名化合物

溶剂HCID10340

Carbonic acid sodium salt (1:2)

CNa2O3

PROCEDURE

实验过程

A mixture of EXAMPLE 30A (172 mg), EXAMPLE 108A (74 mg), and [1,1′-bis(diphenylphosphino)ferrocene]dichloropalladium(II) (10 mg) in dioxane (6 mL) and 2M aqueous Na2CO3 solution (3 mL) was stirred at 60° C. for 18 hours. The mixture was chromatographed on silica gel using 2-20% ethyl acetate in hexanes to afford the title compound.

WORKUP

后处理

customwas stirred at 60° C. for 18 hours
customThe mixture was chromatographed on silica gel using 2-20% ethyl acetate in hexanes

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a5af9732131244b191efa4d10fb3d53d
来源数据集: uspto-grants-2015_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08940737B2
来源说明: uspto-grants-2015_01

反应 SMILES

[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[NH:10][C:11]([C:13]1[CH:14]=[CH:15][CH:16]=[C:17]2[C:22]=1[CH2:21][N:20]([C:23]1[N:28]=[C:27]([C:29]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30])[C:26](B3OC(C)(C)C(C)(C)O3)=[CH:25][CH:24]=1)[CH2:19][CH2:18]2)=[O:12].O1[CH2:50][CH2:49][O:48][CH2:47][CH2:46]1>C([O-])([O-])=O.[Na+].[Na+].C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.C1C=CC(P(C2C=CC=CC=2)[C-]2C=CC=C2)=CC=1.Cl[Pd]Cl.[Fe+2]>[S:1]1[C:5]2[CH:6]=[CH:7][CH:8]=[CH:9][C:4]=2[N:3]=[C:2]1[NH:10][C:11]([C:13]1[CH:14]=[CH:15][CH:16]=[C:17]2[C:22]=1[CH2:21][N:20]([C:23]1[N:28]=[C:27]([C:29]([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30])[C:26]([C:6]3[CH:5]=[CH:4][C:9]([CH3:8])=[C:47]([O:48][C:49]4[CH:50]=[CH:21][CH:22]=[CH:13][CH:11]=4)[CH:46]=3)=[CH:25][CH:24]=1)[CH2:19][CH2:18]2)=[O:12]