HRID1772624

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Brc1cnc(N2CCOCC2)c2nc(CCc3ccc4ccccc4n3)cn12

HCID117727895

未命名化合物

结构：CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(B2CC(C)(C)C(C)(C)C2)cc1

HCID131734672

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)c1ccc(-c2cnc(N3CCOCC3)c3nc(CCc4ccc5ccccc5n4)cn23)cc1

HCID86345488

未命名化合物

收率 88.7%

PROCEDURE

实验过程

Compound 3a (250 mg, 0.570 mmol) was subjected to Suzuki coupling conditions with (S)-tert-butyl 1-(4-(3,3,4,4-tetramethylborolan-1-yl)benzoyl)pyrrolidine-2-carboxylate (686 mg, 1.71 mmol) using the reaction conditions described in Example 1, Step G to obtain compound 17b as a brown solid (320 mg, 81% yield). Mass Spectrum (LCMS, ESI pos.): Calcd. for C37H40N6O4: 633.3 (M+H). Found 633.2.

WORKUP

后处理

customthe reaction conditions

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b94aae74b6744227b7db088defbefded
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]([CH2:11][CH2:12][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)CB([C:37]2[CH:56]=[CH:55][C:40]([C:41]([N:43]3[CH2:47][CH2:46][CH2:45][C@H:44]3[C:48]([O:50][C:51]([CH3:54])([CH3:53])[CH3:52])=[O:49])=[O:42])=[CH:39][CH:38]=2)C1>>[O:26]1[CH2:27][CH2:28][N:23]([C:5]2[C:6]3[N:7]([CH:8]=[C:9]([CH2:11][CH2:12][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]=3)[C:2]([C:37]3[CH:56]=[CH:55][C:40]([C:41]([N:43]4[CH2:47][CH2:46][CH2:45][C@H:44]4[C:48]([O:50][C:51]([CH3:52])([CH3:54])[CH3:53])=[O:49])=[O:42])=[CH:39][CH:38]=3)=[CH:3][N:4]=2)[CH2:24][CH2:25]1