HRID1898533

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6409

2,2,2-Trifluoroethanol

C2H3F3O

HCID31268

Pyrrolidine

C4H9N

结构：CC(C)(C)OC(=O)N[C@@H](C(=O)O)C(C)(C)C

HCID7005057

boc-d-tert-leucine

C11H21NO4

HCID7146275

未命名化合物

HCID45072465

Azetidine-3-carbonitrile--hydrogen chloride (1/1)

C4H7ClN2

结构：C[Si](C)(C)CCOCn1cc(C(=O)O)c2nc(C3CC3)cnc21

HCID57829653

未命名化合物

结构：Cn1cc(-c2cnc3c(n2)c(C(=O)O)cn3COCC[Si](C)(C)C)cn1

HCID67008937

未命名化合物

PRODUCTS

生成物

结构：Cn1cc(-c2cnc3[nH]cc(C(=O)N[C@@H](C(=O)N4CC(C#N)C4)C4CC4)c3n2)cn1

HCID53386311

未命名化合物

PROCEDURE

实验过程

Prepared according to the procedure outlined in Example 1 substituting 3-cyanoazetidine hydrochloride for pyrrolidine, Boc-D-cyclopropyl glycine for Boc-D-tert-leucine, and 2-(1-methyl-1H-pyrazol-4-yl)-5-((2-(trimethylsilyl)ethoxy)methyl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxylic acid for 2-cyclopropyl-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid. N-Boc deprotection was achieved using 2,2,2-trifluoroethanol in a microwave reactor. MS: (M+H)+=405.

WORKUP

后处理

customPrepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-78853117178346179aeb29d77a6dff33
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

Cl.[C:2]([CH:4]1[CH2:7][NH:6][CH2:5]1)#[N:3].N1CCCC1.CC(O[C:18]([NH:20][C@@H:21]([C:25]([OH:27])=O)[CH:22]1[CH2:24][CH2:23]1)=[O:19])(C)C.C(N[C@@H](C(O)=O)C(C)(C)C)(OC(C)(C)C)=O.[CH3:44][N:45]1[CH:49]=[C:48]([C:50]2[N:55]=[C:54]3[C:56](C(O)=O)=[CH:57][N:58](COCC[Si](C)(C)C)[C:53]3=[N:52][CH:51]=2)[CH:47]=[N:46]1.C1(C2N=C3C(C(O)=O)=CN(COCC[Si](C)(C)C)C3=NC=2)CC1.FC(F)(F)CO>>[C:2]([CH:4]1[CH2:7][N:6]([C:25](=[O:27])[C@H:21]([NH:20][C:18]([C:56]2[C:54]3[C:53](=[N:52][CH:51]=[C:50]([C:48]4[CH:47]=[N:46][N:45]([CH3:44])[CH:49]=4)[N:55]=3)[NH:58][CH:57]=2)=[O:19])[CH:22]2[CH2:23][CH2:24]2)[CH2:5]1)#[N:3]