HRID1429129

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID516892

Sodium Bicarbonate

CHNaO3

结构：COc1ccc(CN2CCCCCC=CC3CC3(C(=O)NS(=O)(=O)C3CC3)NC(=O)C3CC(Oc4cc(-c5ccccc5)nc(OC)n4)CN3C2=O)cc1

HCID72253701

未命名化合物

PRODUCTS

生成物

结构：COc1nc(OC2CC3C(=O)NC4(C(=O)NS(=O)(=O)C5CC5)CC4C=CCCCCCNC(=O)N3C2)cc(-c2ccccc2)n1

HCID75277249

未命名化合物

收率 16%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6422

未命名化合物

PROCEDURE

实验过程

Compound 2e was dissolved in a 1:2 mixture of TFA:DCM (12 ml) and stirred at RT for 1 h. NaHCO3 was added and the organic layer was separated, dried, filtered and evaporated. The residue was purified by preparative HPLC which gave the pure title compound (32 mg, 16% over two steps). MS (M+H)+639.

WORKUP

后处理

customthe organic layer was separated
customdried
filtrationfiltered
customevaporated
customThe residue was purified by preparative HPLC which

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e19035d7c8684f7bafbd57110fe5b850
来源数据集: uspto-grants-2015_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08937080B2
来源说明: uspto-grants-2015_01

反应 SMILES

COC1C=CC(C[N:8]2[C:26](=[O:27])[N:25]3[CH:21]([CH2:22][CH:23]([O:28][C:29]4[CH:34]=[C:33]([C:35]5[CH:40]=[CH:39][CH:38]=[CH:37][CH:36]=5)[N:32]=[C:31]([O:41][CH3:42])[N:30]=4)[CH2:24]3)[C:20](=[O:43])[NH:19][C:18]3([C:44]([NH:46][S:47]([CH:50]4[CH2:52][CH2:51]4)(=[O:49])=[O:48])=[O:45])[CH:16]([CH2:17]3)[CH:15]=[CH:14][CH2:13][CH2:12][CH2:11][CH2:10][CH2:9]2)=CC=1.C(Cl)Cl.C([O-])(O)=O.[Na+]>C(O)(C(F)(F)F)=O>[CH3:42][O:41][C:31]1[N:30]=[C:29]([O:28][CH:23]2[CH2:22][CH:21]3[N:25]([C:26](=[O:27])[NH:8][CH2:9][CH2:10][CH2:11][CH2:12][CH2:13][CH:14]=[CH:15][CH:16]4[C:18]([C:44]([NH:46][S:47]([CH:50]5[CH2:51][CH2:52]5)(=[O:48])=[O:49])=[O:45])([NH:19][C:20]3=[O:43])[CH2:17]4)[CH2:24]2)[CH:34]=[C:33]([C:35]2[CH:36]=[CH:37][CH:38]=[CH:39][CH:40]=2)[N:32]=1