HRID1060459

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2734321

[1-(tert-Butoxycarbonyl)-1H-pyrrol-2-yl]boronic acid

C9H14BNO4

结构：COC(=O)[C@H](Cc1ccc(-c2c(OC)cccc2OC)cc1)NC(=O)c1c(Cl)cc(Br)cc1Cl

HCID54123889

未命名化合物

PRODUCTS

生成物

结构：COC(=O)[C@H](Cc1ccc(-c2c(OC)cccc2OC)cc1)NC(=O)c1c(Cl)cc(-c2cccn2C(=O)OC(C)(C)C)cc1Cl

HCID54211229

未命名化合物

收率 92.1%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID8028

Tetrahydrofuran

C4H8O

PROCEDURE

实验过程

N-(4-Bromo-2,6-dichlorobenzoyl)-4-(2,6-dimethoxyphenyl)-L-phenylalanine methyl ester (0.410 g) was coupled with 1-tert-butoxycarbonyl-2-pyrroleboronic acid (0.930 g) in THF (10 mL) as described in Example 7-2) to give 0.435 g of N-[4-(1-tert-butoxycarbonyl-2-pyrrolyl)-2,6-dichlorobenzoyl]-4-(2,6-dimethoxyphenyl)-L-phenylalanine methyl ester. ESMS: m/z 653 (MH+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-89f5e9e46bfa480fa1dfad7cf43f60d3
来源数据集: uspto-grants-2003_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06521666B1
来源说明: uspto-grants-2003_02

反应 SMILES

[CH3:1][O:2][C:3](=[O:34])[C@H:4]([CH2:17][C:18]1[CH:23]=[CH:22][C:21]([C:24]2[C:29]([O:30][CH3:31])=[CH:28][CH:27]=[CH:26][C:25]=2[O:32][CH3:33])=[CH:20][CH:19]=1)[NH:5][C:6](=[O:16])[C:7]1[C:12]([Cl:13])=[CH:11][C:10](Br)=[CH:9][C:8]=1[Cl:15].[C:35]([O:39][C:40]([N:42]1[CH:46]=[CH:45][CH:44]=[C:43]1B(O)O)=[O:41])([CH3:38])([CH3:37])[CH3:36]>C1COCC1>[CH3:1][O:2][C:3](=[O:34])[C@H:4]([CH2:17][C:18]1[CH:23]=[CH:22][C:21]([C:24]2[C:29]([O:30][CH3:31])=[CH:28][CH:27]=[CH:26][C:25]=2[O:32][CH3:33])=[CH:20][CH:19]=1)[NH:5][C:6](=[O:16])[C:7]1[C:12]([Cl:13])=[CH:11][C:10]([C:43]2[N:42]([C:40]([O:39][C:35]([CH3:38])([CH3:37])[CH3:36])=[O:41])[CH:46]=[CH:45][CH:44]=2)=[CH:9][C:8]=1[Cl:15]