HRID526214

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1nn(C(=O)OC(C)(C)C)c(C)c1B1OC(C)(C)C(C)(C)O1

HCID16218387

tert-Butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate

C16H27BN2O4

结构：CC(=O)c1cnc2ccc(Cl)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1

HCID178467145

未命名化合物

PRODUCTS

生成物

结构：CC(=O)c1cnc2ccc(-c3c(C)nn(C(=O)OC(C)(C)C)c3C)nc2c1N[C@H]1CC[C@H](CN(C)C)CC1

HCID178467127

未命名化合物

收率 76.8%

PROCEDURE

实验过程

Following general procedure II, 1-(6-chloro-4-{trans-4-[(dimethylamino)methyl]-cyclohexylamino}-1,5-naphthyridin-3-yl)ethanone (92 mg, 0.25 mmol) was reacted with tert-butyl 3,5-dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-carboxylate (120 mg, 0.37 mmol) to afford crude product (100 mg) as a brown solid which was carried forward without any purification: ESI MS m/z 521 [M+H]+

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e42a0391eeaa4c0c9ae3f100e567cb8a
来源数据集: uspto-grants-2016_05
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09345709B2
来源说明: uspto-grants-2016_05

反应 SMILES

Cl[C:2]1[N:3]=[C:4]2[C:9](=[CH:10][CH:11]=1)[N:8]=[CH:7][C:6]([C:12](=[O:14])[CH3:13])=[C:5]2[NH:15][C@H:16]1[CH2:21][CH2:20][C@H:19]([CH2:22][N:23]([CH3:25])[CH3:24])[CH2:18][CH2:17]1.[CH3:26][C:27]1[C:31](B2OC(C)(C)C(C)(C)O2)=[C:30]([CH3:41])[N:29]([C:42]([O:44][C:45]([CH3:48])([CH3:47])[CH3:46])=[O:43])[N:28]=1>>[C:12]([C:6]1[C:5]([NH:15][C@H:16]2[CH2:21][CH2:20][C@H:19]([CH2:22][N:23]([CH3:25])[CH3:24])[CH2:18][CH2:17]2)=[C:4]2[C:9]([CH:10]=[CH:11][C:2]([C:31]3[C:27]([CH3:26])=[N:28][N:29]([C:42]([O:44][C:45]([CH3:47])([CH3:46])[CH3:48])=[O:43])[C:30]=3[CH3:41])=[N:3]2)=[N:8][CH:7]=1)(=[O:14])[CH3:13]