HRID733405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CCN(CC)C(=O)c1ccc2c(c1)Oc1c(Br)cccc1C2=C1CC2CCC(C1)N2

HCID46917940

未命名化合物

结构：CCN(CC)C(=O)c1ccc2c(c1)Oc1ccc(Br)cc1C2=C1CC2CCC(C1)N2C(=O)C(F)(F)F

HCID57839248

未命名化合物

结构：CCN(CC)C(=O)c1ccc2c(c1)Oc1c(OC)cccc1C2=C1CC2CCC(C1)N2C(=O)C(F)(F)F

HCID57839262

未命名化合物

PRODUCTS

生成物

HCID6422

未命名化合物

结构：CCN(CC)C(=O)c1ccc2c(c1)Oc1ccc(Br)cc1C2=C1CC2CCC(C1)N2

HCID46917874

未命名化合物

PROCEDURE

实验过程

Using an adaptation of the method described in Procedure 17, substituting 7-bromo-9-[8-(2,2,2-trifluoro-acetyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-9H-xanthene-3-carboxylic acid diethylamide, 5f for 5-methoxy-9-[8-(2,2,2-trifluoro-acetyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-9H-xanthene-3-carboxylic acid diethylamide, 5d, the title compound 9-(8-aza-bicyclo[3.2.1]oct-3-ylidene)-7-bromo-9H-xanthene-3-carboxylic acid diethylamide, 6f was obtained as a TFA salt after reverse phase HPLC purification (eluent gradient: CH3CN in H2O containing 0.1% TFA). MS m/z (MH+) 467/468.9.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-796055c51cff41dba25f1c532c0e4edc
来源数据集: uspto-grants-2009_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07589104B2
来源说明: uspto-grants-2009_09

反应 SMILES

[CH2:1]([N:3]([CH2:35][CH3:36])[C:4]([C:6]1[CH:7]=[CH:8][C:9]2[C:10](=[C:21]3[CH2:27][CH:26]4[N:28]([C:29](=[O:34])[C:30]([F:33])([F:32])[F:31])[CH:23]([CH2:24][CH2:25]4)[CH2:22]3)[C:11]3[C:16]([O:17][C:18]=2[CH:19]=1)=[CH:15][CH:14]=[C:13]([Br:20])[CH:12]=3)=[O:5])[CH3:2].C(N(CC)C(C1C=CC2C(=C3CC4N(C(=O)C(F)(F)F)C(CC4)C3)C3C(OC=2C=1)=C(OC)C=CC=3)=[O:41])C.C(N(CC)C(C1C=CC2C(=C3CC4NC(CC4)C3)C3C(OC=2C=1)=C(Br)C=CC=3)=O)C>>[CH2:35]([N:3]([CH2:1][CH3:2])[C:4]([C:6]1[CH:7]=[CH:8][C:9]2[C:10](=[C:21]3[CH2:27][CH:26]4[NH:28][CH:23]([CH2:24][CH2:25]4)[CH2:22]3)[C:11]3[C:16]([O:17][C:18]=2[CH:19]=1)=[CH:15][CH:14]=[C:13]([Br:20])[CH:12]=3)=[O:5])[CH3:36].[C:29]([OH:34])([C:30]([F:33])([F:32])[F:31])=[O:41]