HRID2406596

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID66822019

未命名化合物

结构：CCCC(N)c1ccc(OCCOCCOCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

HCID68041434

未命名化合物

PRODUCTS

生成物

结构：CCCC(NC(=O)CC#N)c1ccc(OCCOCCOCCN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1

HCID68041433

未命名化合物

PROCEDURE

实验过程

The title compound was prepared by using a similar procedure as described for the preparation of 29 except that (2-(2-(2-(4-(1-aminobutyl)phenoxy)ethoxy)ethoxy)ethyl)imidodicarbonic acid, 1,3-bis-tert-butyl ester (45) was used instead of 1-(4-(2-(diethylamino)ethoxy)phenyl)butan-1-amine (25). This produced the crude product which was purified by flash silica gel column chromatography, eluting with 3:2 hexanes/ethyl acetate, to give 46 (95 mg, 84%) as a clear oil: MS (ES+) m/z 564.3 (M+H)+.

WORKUP

后处理

customThis produced the crude product which

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-765baba9861648eb9a06c8b2140a1492
来源数据集: uspto-grants-2014_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08809377B2
来源说明: uspto-grants-2014_08

反应 SMILES

[C:1]([CH2:3][C:4]([NH:6][CH:7]([C:11]1[CH:16]=[CH:15][C:14]([O:17][CH2:18][CH2:19]N(CC)CC)=[CH:13][CH:12]=1)[CH2:8][CH2:9][CH3:10])=[O:5])#[N:2].NC(C1C=CC(OCC[O:37][CH2:38][CH2:39][O:40][CH2:41][CH2:42][N:43]([C:51]([O:53][C:54]([CH3:57])([CH3:56])[CH3:55])=[O:52])[C:44]([O:46][C:47]([CH3:50])([CH3:49])[CH3:48])=[O:45])=CC=1)CCC>>[C:1]([CH2:3][C:4]([NH:6][CH:7]([C:11]1[CH:12]=[CH:13][C:14]([O:17][CH2:18][CH2:19][O:37][CH2:38][CH2:39][O:40][CH2:41][CH2:42][N:43]([C:51]([O:53][C:54]([CH3:57])([CH3:56])[CH3:55])=[O:52])[C:44]([O:46][C:47]([CH3:48])([CH3:49])[CH3:50])=[O:45])=[CH:15][CH:16]=1)[CH2:8][CH2:9][CH3:10])=[O:5])#[N:2]