HRID22639

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10340

Carbonic acid sodium salt (1:2)

CNa2O3

HCID4997616

[2-(tert-Butylsulfamoyl)phenyl]boronic acid

C10H16BNO4S

结构：CCCN(C(=O)Nc1ccc(I)cc1)N(C(=O)OC(C)(C)C)c1cccc(C#N)c1

HCID11191609

未命名化合物

PRODUCTS

生成物

结构：CCCN(C(=O)Nc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1)N(C(=O)OC(C)(C)C)c1cccc(C#N)c1

HCID11342464

未命名化合物

收率 75.6%

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HCID8071

未命名化合物

CONDITIONS

反应条件

温度: 110 °C

PROCEDURE

实验过程

1.5 g (2.883 mmol) of 405 and 1.112 g (4.324 mmol) of 2-(t-butylamino-sulfonyl)phenylboronic acid are dissolved in 100 ml of ethylene glycol dimethyl ether, treated with 63 mg (0.086 mmol) of PdCl2(dppf) and 20.0 ml of 2N sodium carbonate solution and then stirred at 110° C. under a nitrogen atomsphere for 3 h. After customary work-up, 1.32 g (75.6%) of 406 are thus obtained as crystals having a melting point of 173-174° C.; MS(FAB)=606.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b43242805e624d7fadd674e498ef0b5e
来源数据集: uspto-grants-2005_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06849626B2
来源说明: uspto-grants-2005_02

反应 SMILES

[C:1]([C:3]1[CH:4]=[C:5]([N:9]([N:17]([C:21]([NH:23][C:24]2[CH:29]=[CH:28][C:27](I)=[CH:26][CH:25]=2)=[O:22])[CH2:18][CH2:19][CH3:20])[C:10]([O:12][C:13]([CH3:16])([CH3:15])[CH3:14])=[O:11])[CH:6]=[CH:7][CH:8]=1)#[N:2].[C:31]([NH:35][S:36]([C:39]1[CH:44]=[CH:43][CH:42]=[CH:41][C:40]=1B(O)O)(=[O:38])=[O:37])([CH3:34])([CH3:33])[CH3:32].C(=O)([O-])[O-].[Na+].[Na+]>COCCOC.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]>[C:13]([O:12][C:10]([N:9]([C:5]1[CH:6]=[CH:7][CH:8]=[C:3]([C:1]#[N:2])[CH:4]=1)[N:17]([CH2:18][CH2:19][CH3:20])[C:21]([NH:23][C:24]1[CH:29]=[CH:28][C:27]([C:40]2[C:39]([S:36]([NH:35][C:31]([CH3:34])([CH3:33])[CH3:32])(=[O:37])=[O:38])=[CH:44][CH:43]=[CH:42][CH:41]=2)=[CH:26][CH:25]=1)=[O:22])=[O:11])([CH3:16])([CH3:15])[CH3:14]