HRID1665062

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10340

Carbonic acid sodium salt (1:2)

CNa2O3

HCID2773542

3-(Methylsulfonyl)phenylboronic acid

C7H9BO4S

结构：CC(C)CN(Cc1ccc(Br)cc1F)S(=O)(=O)c1ccccc1Cl

HCID67441654

未命名化合物

PRODUCTS

生成物

结构：CC(C)CN(Cc1ccc(-c2cccc(S(C)(=O)=O)c2)cc1F)S(=O)(=O)c1ccccc1Cl

HCID25234310

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

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

催化剂HCID178418807

未命名化合物

溶剂HCID21886435

1,4-Dioxane--water (1/1)

C4H10O3

PROCEDURE

实验过程

In analogy to example 1, step 3, N-(4-bromo-2-fluoro-benzyl)-2-chloro-N-isobutyl-benzenesulfonamide was reacted with (3-methylsulfonylphenyl)-boronic acid, Na2CO3 and dichloro[1,1′-bis(diphenylphosphino)ferrocene]palladium dichloromethane adduct in dioxane/water to give 2-chloro-N-(3-fluoro-3′-methanesulfonyl-biphenyl-4-ylmethyl)-N-isobutyl-benzenesulfonamide as a colorless solid. MS: 568.2 ([M+OAc]−)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fa5d1994effe439b87a5b4a05ab8e8db
来源数据集: uspto-grants-2011_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08039493B2
来源说明: uspto-grants-2011_10

反应 SMILES

Br[C:2]1[CH:23]=[CH:22][C:5]([CH2:6][N:7]([CH2:18][CH:19]([CH3:21])[CH3:20])[S:8]([C:11]2[CH:16]=[CH:15][CH:14]=[CH:13][C:12]=2[Cl:17])(=[O:10])=[O:9])=[C:4]([F:24])[CH:3]=1.[CH3:25][S:26]([C:29]1[CH:30]=[C:31](B(O)O)[CH:32]=[CH:33][CH:34]=1)(=[O:28])=[O:27].C([O-])([O-])=O.[Na+].[Na+]>O1CCOCC1.O.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].ClCCl>[Cl:17][C:12]1[CH:13]=[CH:14][CH:15]=[CH:16][C:11]=1[S:8]([N:7]([CH2:6][C:5]1[CH:22]=[CH:23][C:2]([C:33]2[CH:32]=[CH:31][CH:30]=[C:29]([S:26]([CH3:25])(=[O:28])=[O:27])[CH:34]=2)=[CH:3][C:4]=1[F:24])[CH2:18][CH:19]([CH3:21])[CH3:20])(=[O:10])=[O:9]