HRID1158334

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

2 次

HCID76639

Benzyl isocyanate

C8H7NO

HCID18373917

Acetonitrile--water (1/1)

C2H5NO

结构：COCCCOc1cc(C(=O)N(C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2CO)C(C)C)ccc1OC

HCID59512299

未命名化合物

PRODUCTS

生成物

结构：COCCCOc1cc(C(=O)N(C[C@@H]2CNC[C@H]2COC(=O)NCc2ccccc2)C(C)C)ccc1OC

HCID11851631

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

PROCEDURE

实验过程

The title compound is prepared analogously as described in Example 3 from (3S*,4R*)-3-hydroxymethyl-4-({isopropyl-[4-methoxy-3-(3-methoxy-propoxy)-benzoyl]-amino}-methyl)-pyrrolidine-1-carboxylic acid tert-butyl ester and benzylisocyanate. MS (LC-MS): 528.3 [M+H]+; tR (HPLC, Macherey-Nagel Nucleosil C18 column, 10-100% CH3CN/H2O/5 min, 100% CH3CN/3 min, CH3CN and H2O containing 0.1% TFA, flow: 1.5 mL/min): 4.52 min.

WORKUP

后处理

custom4.52 min.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6318f40da716468bb9ab30f826bd0a55
来源数据集: uspto-grants-2010_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07807709B2
来源说明: uspto-grants-2010_10

反应 SMILES

C(OC([N:8]1[CH2:12][C@@H:11]([CH2:13][N:14]([CH:31]([CH3:33])[CH3:32])[C:15](=[O:30])[C:16]2[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[C:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[CH:17]=2)[C@H:10]([CH2:34]O)[CH2:9]1)=O)(C)(C)C.[CH2:36]([N:43]=[C:44]=[O:45])[C:37]1[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=1.CC#N.[OH2:49].CC#N>O>[CH:31]([N:14]([CH2:13][C@@H:11]1[CH2:12][NH:8][CH2:9][C@H:10]1[CH2:34][O:45][C:44](=[O:49])[NH:43][CH2:36][C:37]1[CH:42]=[CH:41][CH:40]=[CH:39][CH:38]=1)[C:15](=[O:30])[C:16]1[CH:21]=[CH:20][C:19]([O:22][CH3:23])=[C:18]([O:24][CH2:25][CH2:26][CH2:27][O:28][CH3:29])[CH:17]=1)([CH3:32])[CH3:33]