HRID2247295

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

HCID21961433

1-[4-(Aminomethyl)-1H-pyrrolo[2,3-b]pyridin-1-yl]ethanone

C10H11N3O

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

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 (0.24 g), 1-(4-aminomethyl-pyrrolo[2,3-b]pyridin-1-yl)-ethanone (0.14 g), DIEA (0.8 mL) and IpOH (0.8 mL) was subjected to a MicroWave condition (170° C., 1000 s) twice. Evaporation of solvent yielded the crude compound, which was purified by chromatography through silica gel (15 g, 5% MeOH/CH2Cl2) to afford 4,4-dimethyl-7-({2-[(1H-pyrrolo[2,3-b]pyridin-4-ylmethyl)-amino]-pyridine-3-carbonyl}-amino)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester.

WORKUP

后处理

customwas subjected to a MicroWave condition (170° C., 1000 s)
customEvaporation of solvent
customyielded the crude compound, which
customwas purified by chromatography through silica gel (15 g, 5% MeOH/CH2Cl2)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae4c837bb1cc4897ac9a83510938019c
来源数据集: uspto-grants-2010_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07687643B2
来源说明: uspto-grants-2010_03

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].[NH2:30][CH2:31][C:32]1[CH:37]=[CH:36][N:35]=[C:34]2[N:38](C(=O)C)[CH:39]=[CH:40][C:33]=12.CCN(C(C)C)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:30][CH2:31][C:32]4[CH:37]=[CH:36][N:35]=[C:34]5[NH:38][CH:39]=[CH:40][C:33]=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]