HRID1898517

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11379045

1-Ethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole

C11H19BN2O2

结构：CC(C)(C)OC(=O)n1cc(B2OC(C)(C)C(C)(C)O2)cn1

HCID16217654

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

C14H23BN2O4

HCID57516598

未命名化合物

结构：CC(C)(C)[C@@H](N)C(=O)N1CCC(C#N)CC1.O=C(O)C(F)(F)F

HCID67386048

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)[C@@H](NC(=O)c1c[nH]c2ncc(-c3cn[nH]c3)nc12)C(=O)N1CCC(C#N)CC1

HCID53386202

未命名化合物

PROCEDURE

实验过程

Prepared according to the procedure outlined in Example 2 substituting 1-((R)-2-amino-3,3-dimethyl-butyryl)-piperidine-4-carbonitrile trifluoroacetate for (R)-2-amino-3,3-dimethyl-1-pyrrolidin-1-yl-butan-1-one hydrochloride in Step 1 and 1-Boc-pyrazole-4-boronic acid pinacol ester for 1-ethyl-1H-pyrazole-4-boronic acid pinacol ester in Step 2. MS: (M+H)+=435.

WORKUP

后处理

customPrepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b72de74a12746509d81422f63202e87
来源数据集: uspto-grants-2013_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08518945B2
来源说明: uspto-grants-2013_08

反应 SMILES

F[C:2](F)(F)[C:3]([OH:5])=O.[NH2:8][C@H:9]([C:20]([CH3:23])([CH3:22])[CH3:21])[C:10]([N:12]1[CH2:17][CH2:16][CH:15]([C:18]#[N:19])[CH2:14][CH2:13]1)=[O:11].Cl.[NH2:25][C@H:26]([C:34]([CH3:37])([CH3:36])C)[C:27]([N:29]1[CH2:33][CH2:32]CC1)=O.C([N:45]1[CH:49]=C(B2OC(C)(C)C(C)(C)O2)C=N1)(OC(C)(C)C)=O.C([N:61]1C=C(B2OC(C)(C)C(C)(C)O2)C=[N:62]1)C>>[C:18]([CH:15]1[CH2:14][CH2:13][N:12]([C:10]([C@H:9]([NH:8][C:3]([C:2]2[C:32]3[C:33](=[N:29][CH:27]=[C:26]([C:34]4[CH:36]=[N:61][NH:62][CH:37]=4)[N:25]=3)[NH:45][CH:49]=2)=[O:5])[C:20]([CH3:23])([CH3:22])[CH3:21])=[O:11])[CH2:17][CH2:16]1)#[N:19]