HRID1094541

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CCOC(=O)c1c(C(C)C)nn(C2CC2)c1C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)OC(C)(C)C)cc3n2C1

HCID57953852

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(C(C)C)nn(C2CC2)c1C1=Cc2cc(OC)ccc2-c2c(C3CCCCC3)c3ccc(C(=O)O)cc3n2C1

HCID57953850

未命名化合物

收率 99.8%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6365

1,1-Dichloroethane

C2H4Cl2

PROCEDURE

实验过程

TFA (2.8 mL, 37 mmol) was added to a stirring solution of tert-butyl 13-cyclohexyl-6-(1-cyclopropyl-4-(ethoxycarbonyl)-3-isopropyl-1H-pyrazol-5-yl)-3-methoxy-7H-indolo[2,1-a][2]benzazepine-10-carboxylate (350 mg, 0.527 mmol) in dichloroethane (5 mL) at room temperature. The reaction was allowed to stir for 2.5 hrs and then was concentrated to dryness to give expected product (320 mg, 0.526 mmol, quant) consistent by LCMS.

WORKUP

后处理

concentrationwas concentrated to dryness

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3b1c9a8aeaf84107a7587788f42db22d
来源数据集: uspto-grants-2012_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08133884B2
来源说明: uspto-grants-2012_03

反应 SMILES

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