HRID1772614

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：CC(C)(C)OC(=O)Nc1ccc(B2OC(C)(C)C(C)(C)O2)cn1

HCID17750222

tert-Butyl [5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate

C16H25BN2O4

结构：Brc1cnc(N2CCOCC2)c2nc(/C=C/c3ccc4ccccc4n3)cn12

HCID117728505

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(-c2cnc(N3CCOCC3)c3nc(/C=C/c4ccc5ccccc5n4)cn23)cn1

HCID117732264

未命名化合物

收率 48%

PROCEDURE

实验过程

Compound 2b (500 mg, 1.15 mmol) was subjected to Suzuki coupling conditions with tert-butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine-2-ylcarbamate using the reaction conditions described in Example 1, Step G to obtain compound 13a as a yellow solid (300 mg, 48% yield). Mass Spectrum (LCMS, ESI pos.): Calcd. for C31H31N7O3: 550.2 (M+H). Found 550.2.

WORKUP

后处理

customthe reaction conditions

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-547c5462f06e4a2f9a6e6aced84958dd
来源数据集: uspto-grants-2016_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09249163B2
来源说明: uspto-grants-2016_02

反应 SMILES

Br[C:2]1[N:7]2[CH:8]=[C:9](/[CH:11]=[CH:12]/[C:13]3[CH:22]=[CH:21][C:20]4[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=4)[N:14]=3)[N:10]=[C:6]2[C:5]([N:23]2[CH2:28][CH2:27][O:26][CH2:25][CH2:24]2)=[N:4][CH:3]=1.CC1(C)C(C)(C)OB([C:37]2[CH:38]=[CH:39][C:40]([NH:43][C:44](=[O:50])[O:45][C:46]([CH3:49])([CH3:48])[CH3:47])=[N:41][CH:42]=2)O1>>[C:46]([O:45][C:44](=[O:50])[NH:43][C:40]1[CH:39]=[CH:38][C:37]([C:2]2[N:7]3[CH:8]=[C:9](/[CH:11]=[CH:12]/[C:13]4[CH:22]=[CH:21][C:20]5[C:15](=[CH:16][CH:17]=[CH:18][CH:19]=5)[N:14]=4)[N:10]=[C:6]3[C:5]([N:23]3[CH2:28][CH2:27][O:26][CH2:25][CH2:24]3)=[N:4][CH:3]=2)=[CH:42][N:41]=1)([CH3:49])([CH3:47])[CH3:48]