HRID1772690

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID61207

tert-Butyl Formate

C5H10O2

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(COc3ccc4ccccc4n3)cn12

HCID117728336

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)Nc1ccc(-c2cnc(N3CCOCC3)c3nc(COc4ccc5ccccc5n4)cn23)cn1

HCID117732286

未命名化合物

PROCEDURE

实验过程

Compound 48a was prepared from compound 15a and 2-(BOC-amino)pyridine-5-boronic acid pinacol ester according to procedure described in Example 13, Step A. Mass Spectrum (LCMS, ESI pos.) Calcd. For C30H31N7O4: 453.3 (M+H-BOC). Found 554.2.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4f272c3f6a514db689587a1590536473
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][O: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.[C:29]([NH:36][C:37]1[CH:42]=[CH:41][C:40](B2OC(C)(C)C(C)(C)O2)=[CH:39][N:38]=1)([O:31][C:32]([CH3:35])([CH3:34])[CH3:33])=[O:30].C(OC(C)(C)C)=O>>[O:26]1[CH2:27][CH2:28][N:23]([C:5]2[C:6]3[N:7]([CH:8]=[C:9]([CH2:11][O: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:40]3[CH:41]=[CH:42][C:37]([NH:36][C:29](=[O:30])[O:31][C:32]([CH3:34])([CH3:33])[CH3:35])=[N:38][CH:39]=3)=[CH:3][N:4]=2)[CH2:24][CH2:25]1