HRID1898515

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

HCID44754906

未命名化合物

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(-c3cccc(N4CCCC4)c3)nc12)C(=O)N1CCC(C#N)CC1

HCID53386153

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 3-(1-pyrrolidinyl)phenylboronic acid hydrochloride for 1-ethyl-1H-pyrazole-4-boronic acid pinacol ester in Step 2. MS: (M+H)+=514.

WORKUP

后处理

customPrepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3f19cc9dc9754a16a7b0290874b26898
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(C)(C)C)[C:27]([N:29]1[CH2:33][CH2:32]CC1)=O.Cl.[N:39]1([C:44]2[CH:45]=[C:46](B(O)O)[CH:47]=[CH:48][CH:49]=2)[CH2:43][CH2:42][CH2:41][CH2:40]1.[CH2:53]([N:55]1C=C(B2OC(C)(C)C(C)(C)O2)C=N1)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:26]3[C:27](=[N:29][CH:33]=[C:32]([C:46]4[CH:47]=[CH:48][CH:49]=[C:44]([N:39]5[CH2:43][CH2:42][CH2:41][CH2:40]5)[CH:45]=4)[N:25]=3)[NH:55][CH:53]=2)=[O:5])[C:20]([CH3:23])([CH3:22])[CH3:21])=[O:11])[CH2:17][CH2:16]1)#[N:19]