HRID888134

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

结构：CC(C)(C)OC(=O)N1Cc2cc(NC(=O)c3cccnc3F)ccc2C(C)(C)C1

HCID21959516

未命名化合物

HCID69263704

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1Cc2cc(NC(=O)c3cccnc3NCc3ccnc4[nH]ccc34)ccc2C(C)(C)C1

HCID60053729

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6386

tert-Butyl alcohol

C4H10O

PROCEDURE

实验过程

A mixture of 7-[(2-fluoro-pyridine-3-carbonyl)-amino]-4,4-dimethyl-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester (1.99 g, 4.98 mmol) and C-(1H-pyrrolo[2,3-b]pyridin-4-yl)-methylamine, dihydrochloride (1.79 g, 8.14 mmol), DIEA (6 mL), and t-butanol (9 mL) in 3 microwave vials was subjected to 170° C., 1200 s of microwave. The combined mixture was concentrated and purified by column chromatography (Biotage, 0 to 7% MeOH with 10% NH4OH in CH2Cl2) to afford the title compound.

WORKUP

后处理

concentrationThe combined mixture was concentrated
custompurified by column chromatography (Biotage, 0 to 7% MeOH with 10% NH4OH in CH2Cl2)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-61d80d5353bf4148b66bc5d19482888e
来源数据集: uspto-grants-2012_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08247556B2
来源说明: uspto-grants-2012_08

反应 SMILES

[C:1]([O:5][C:6]([N:8]1[CH2:17][C:16]([CH3:19])([CH3:18])[C:15]2[C:10](=[CH:11][C:12]([NH:20][C:21]([C:23]3[C:24](F)=[N:25][CH:26]=[CH:27][CH:28]=3)=[O:22])=[CH:13][CH:14]=2)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].Cl.Cl.[NH:32]1[C:36]2=[N:37][CH:38]=[CH:39][C:40]([CH2:41][NH2:42])=[C:35]2[CH:34]=[CH:33]1.CCN(C(C)C)C(C)C>C(O)(C)(C)C>[C:1]([O:5][C:6]([N:8]1[CH2:17][C:16]([CH3:19])([CH3:18])[C:15]2[C:10](=[CH:11][C:12]([NH:20][C:21]([C:23]3[C:24]([NH:42][CH2:41][C:40]4[CH:39]=[CH:38][N:37]=[C:36]5[NH:32][CH:33]=[CH:34][C:35]=45)=[N:25][CH:26]=[CH:27][CH:28]=3)=[O:22])=[CH:13][CH:14]=2)[CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2]