HRID1161559

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CCOC(=O)c1cn[nH]c1-n1nc(C(Nc2ccc(-c3noc(C)n3)cc2)c2cc(OC)c3c(c2F)OCCCO3)[nH]c1=O

HCID135982050

未命名化合物

结构：COc1cc(F)c(C(Nc2ccc(-c3noc(C)n3)cc2)c2nn(-c3ccccc3C(=O)O)c(=O)[nH]2)cc1OC

HCID136124696

未命名化合物

PRODUCTS

生成物

结构：CC(=O)O.CCOC(=O)c1cn[nH]c1-n1nc(C(Nc2ccc(C(=N)N)cc2)c2cc(OC)c3c(c2F)OCCCO3)[nH]c1=O

HCID136389278

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID176

Acetic Acid

C2H4O2

PROCEDURE

实验过程

The same procedure was carried out as in Example (1g), except that 5-(3-{(6-fluoro-9-methoxy-3,4-dihydro-2H-benzo[b][1,4]dioxepin-7-yl)-[4-(5-methyl[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl)-1H-pyrazole-4-carboxylic acid ethyl ester and 0.1% acetic acid were used instead of respectively 2-(3-{(2-fluoro-4,5-dimethoxyphenyl)-[4-(5-methyl-[1,2,4]oxadiazol-3-yl)phenylamino]methyl}-5-oxo-4,5-dihydro-[1,2,4]triazol-1-yl)benzoic acid and 0.1% trifluoroacetic acid, to give the title compound as a light yellow solid.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c053453840674fe8b859296dd8902ce0
来源数据集: uspto-grants-2010_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07816522B2
来源说明: uspto-grants-2010_10

反应 SMILES

[CH2:1]([O:3][C:4]([C:6]1[CH:7]=[N:8][NH:9][C:10]=1[N:11]1[C:15](=[O:16])[NH:14][C:13]([CH:17]([C:31]2[CH:41]=[C:40]([O:42][CH3:43])[C:34]3[O:35][CH2:36][CH2:37][CH2:38][O:39][C:33]=3[C:32]=2[F:44])[NH:18][C:19]2[CH:24]=[CH:23][C:22]([C:25]3[N:29]=C(C)O[N:26]=3)=[CH:21][CH:20]=2)=[N:12]1)=[O:5])[CH3:2].FC1C=C(OC)C(OC)=CC=1C(NC1C=CC(C2N=C(C)ON=2)=CC=1)C1NC(=O)N(C2C=CC=CC=2C(O)=O)N=1.FC(F)(F)C(O)=O>C(O)(=O)C>[C:4]([OH:5])(=[O:3])[CH3:6].[CH2:1]([O:3][C:4]([C:6]1[CH:7]=[N:8][NH:9][C:10]=1[N:11]1[C:15](=[O:16])[NH:14][C:13]([CH:17]([NH:18][C:19]2[CH:20]=[CH:21][C:22]([C:25](=[NH:26])[NH2:29])=[CH:23][CH:24]=2)[C:31]2[CH:41]=[C:40]([O:42][CH3:43])[C:34]3[O:35][CH2:36][CH2:37][CH2:38][O:39][C:33]=3[C:32]=2[F:44])=[N:12]1)=[O:5])[CH3:2]