HRID500405

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID3414518

Cyclohexanemethyl isocyanate

C8H13NO

结构：CC(C)(C)OC(=O)NC1CCCOCC=CC2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CC(O)CN2C1=O

HCID72260122

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CCCOCC=CC2CC2(C(=O)NS(=O)(=O)C2CC2)NC(=O)C2CC(OC(=O)NCC3CCCCC3)CN2C1=O

HCID72445378

未命名化合物

收率 29%

PROCEDURE

实验过程

Prepared by way of method III using 18-hydroxy-14-tert-butoxycarbonylamino-4-cyclopropylsulfonylaminocarbonyl-2,15-dioxo-3,16-diaza-10-oxatricyclo[14.3.0.04,6]-nonadec-7-ene (100 mg, 0.175 mmol) and cyclohexylmethyl isocyanate (53 μL, 0.35 mmol). The final trituration (diethyl ether/hexane) and filtration gave 36 mg (29%) of 18-cyclohexylmethylaminocarbonyloxyl-14-tert-butoxycarbonylamino-4-cyclopropylsulfonylaminocarbonyl-2,15-dioxo-3,16-diaza-10-oxatricyclo-[14.3.0.04,6]-nonadec-7-ene as a white powder: 99.0% pure (HPLC), MS m/z 708 (M−H)−, HRMS calcd. 708.3278 and found 708.3269, mp 142-144° C.

WORKUP

后处理

customPrepared by way of method III
filtrationThe final trituration (diethyl ether/hexane) and filtration

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5a01e0a9dd054d3986de8d1ad2454783
来源数据集: uspto-grants-2010_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07772183B2
来源说明: uspto-grants-2010_08

反应 SMILES

[OH:1][CH:2]1[CH2:20][CH:19]2[N:4]([C:5](=[O:39])[CH:6]([NH:31][C:32]([O:34][C:35]([CH3:38])([CH3:37])[CH3:36])=[O:33])[CH2:7][CH2:8][CH2:9][O:10][CH2:11][CH:12]=[CH:13][CH:14]3[C:16]([C:22]([NH:24][S:25]([CH:28]4[CH2:30][CH2:29]4)(=[O:27])=[O:26])=[O:23])([NH:17][C:18]2=[O:21])[CH2:15]3)[CH2:3]1.[CH:40]1([CH2:46][N:47]=[C:48]=[O:49])[CH2:45][CH2:44][CH2:43][CH2:42][CH2:41]1>>[CH:40]1([CH2:46][NH:47][C:48]([O:1][CH:2]2[CH2:20][CH:19]3[N:4]([C:5](=[O:39])[CH:6]([NH:31][C:32]([O:34][C:35]([CH3:36])([CH3:38])[CH3:37])=[O:33])[CH2:7][CH2:8][CH2:9][O:10][CH2:11][CH:12]=[CH:13][CH:14]4[C:16]([C:22]([NH:24][S:25]([CH:28]5[CH2:29][CH2:30]5)(=[O:26])=[O:27])=[O:23])([NH:17][C:18]3=[O:21])[CH2:15]4)[CH2:3]2)=[O:49])[CH2:45][CH2:44][CH2:43][CH2:42][CH2:41]1