HRID1007719

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID60984

Methyl bromoacetate

C3H5BrO2

结构：O=C(O)c1ccc2c(c1)nc(-c1ccoc1)n2C1CCCCC1

HCID491113

1-Cyclohexyl-2-(furan-3-yl)-1H-benzimidazole-5-carboxylic acid

C18H18N2O3

结构：COC(=O)c1cc(C[C@H](N)C(=O)OC)ccc1O.Cl

HCID69320169

未命名化合物

HCID86600397

未命名化合物

PRODUCTS

生成物

结构：O=C(O)COc1ccc(CC(NC(=O)c2ccc3c(c2)nc(-c2ccoc2)n3C2CCCCC2)C(=O)O)cc1C(=O)O

HCID491260

未命名化合物

PROCEDURE

实验过程

Racemic 3-(carbomethoxy)tyrosine methyl ester hydrochloride (example 119) was coupled to the carboxylic acid of example 2 in the usual manner. The phenolic hydroxyl group was alkylated with methyl bromoacetate in the usual manner (K2CO3/acetone at reflux) and saponified to give the title compound of example 126.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f29cfec8e4ca4b1c87f6b9ab565e6634
来源数据集: uspto-grants-2004_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06794404B2
来源说明: uspto-grants-2004_09

反应 SMILES

Cl.C[O:3][C:4](=[O:19])[C@H:5]([CH2:7][C:8]1[CH:13]=[CH:12][C:11]([OH:14])=[C:10]([C:15]([O:17]C)=[O:16])[CH:9]=1)[NH2:6].[CH:20]1([N:26]2[C:30]3[CH:31]=[CH:32][C:33]([C:35](O)=[O:36])=[CH:34][C:29]=3[N:28]=[C:27]2[C:38]2[CH:42]=[CH:41][O:40][CH:39]=2)[CH2:25][CH2:24][CH2:23][CH2:22][CH2:21]1.Br[CH2:44][C:45]([O:47]C)=[O:46].C([O-])([O-])=O.[K+].[K+].CC(C)=O>>[C:4]([CH:5]([NH:6][C:35]([C:33]1[CH:32]=[CH:31][C:30]2[N:26]([CH:20]3[CH2:25][CH2:24][CH2:23][CH2:22][CH2:21]3)[C:27]([C:38]3[CH:42]=[CH:41][O:40][CH:39]=3)=[N:28][C:29]=2[CH:34]=1)=[O:36])[CH2:7][C:8]1[CH:13]=[CH:12][C:11]([O:14][CH2:44][C:45]([OH:47])=[O:46])=[C:10]([CH:9]=1)[C:15]([OH:17])=[O:16])([OH:3])=[O:19]