HRID2196850

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CC[C@@H](C(=O)NC(C(=O)N1CCC[C@H]1c1nnn(Cc2ccccc2)n1)C1CCCCC1)N(C)C(=O)OC(C)(C)C

HCID59788068

未命名化合物

PRODUCTS

生成物

结构：CC[C@H](NC)C(=O)NC(C(=O)N1CCC[C@H]1c1nnn(Cc2ccccc2)n1)C1CCCCC1.O=C(O)C(F)(F)F

HCID86601085

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

To a solution of compound G in DCM (2 mL) is added TFA (2 mL) at 0° C. The solution is stirred at room temperature for 1 hr and dried under vacuum. The crude oil is purified by HPLC to provide the title compound. M+H+=467.

WORKUP

后处理

customdried under vacuum
customThe crude oil is purified by HPLC

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-093f3baadc664d9785e4efa8a7a01d21
来源数据集: uspto-grants-2012_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08338440B2
来源说明: uspto-grants-2012_12

反应 SMILES

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