HRID1898666

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：C[Si](C)(C)CCOCn1cc(C(=O)N[C@@H](C(=O)N2CC(C#N)C2)C2CC2)c2nc(-c3cc4nccc(Cl)c4s3)cnc21

HCID58438587

未命名化合物

结构：C[C@@H](NC(=O)c1cn(COCC[Si](C)(C)C)c2ncc(-c3cc4nccc(Cl)c4s3)nc12)C(=O)N1CC(C#N)C1

HCID67386534

未命名化合物

PRODUCTS

生成物

结构：COc1ccnc2cc(-c3cnc4[nH]cc(C(=O)N[C@H](C)C(=O)N5CC(C#N)C5)c4n3)sc12

HCID58438628

未命名化合物

PROCEDURE

实验过程

Prepared according to the procedure outlined in Example 157 substituting 2-(7-chloro-thieno[3,2-b]pyridin-2-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-(3-cyano-azetidin-1-yl)-1-methyl-2-oxo-ethyl]-amide for 2-(7-chloro-thieno[3,2-b]pyridin-2-yl)-5-(2-trimethylsilanyl-ethoxymethyl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid [(R)-2-(3-cyano-azetidin-1-yl)-1-cyclopropyl-2-oxo-ethyl]-amide in step 1. MS: (M+H)+=462.

WORKUP

后处理

customPrepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6ea0006924444337af123e11a88f3017
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

[C:1]([CH:3]1[CH2:6][N:5]([C:7](=[O:40])[C@H:8]([NH:10][C:11]([C:13]2[C:21]3[C:16](=[N:17][CH:18]=[C:19]([C:22]4[S:30][C:29]5[C:24](=[N:25][CH:26]=[CH:27][C:28]=5Cl)[CH:23]=4)[N:20]=3)[N:15](COCC[Si](C)(C)C)[CH:14]=2)=[O:12])[CH3:9])[CH2:4]1)#[N:2].C(C1CN(C(=O)[C@H](N[C:53](C2C3C(=NC=C(C4SC5C(=NC=CC=5Cl)C=4)N=3)N(COCC[Si](C)(C)C)C=2)=[O:54])C2CC2)C1)#N>>[C:1]([CH:3]1[CH2:4][N:5]([C:7](=[O:40])[C@H:8]([NH:10][C:11]([C:13]2[C:21]3[C:16](=[N:17][CH:18]=[C:19]([C:22]4[S:30][C:29]5[C:24](=[N:25][CH:26]=[CH:27][C:28]=5[O:54][CH3:53])[CH:23]=4)[N:20]=3)[NH:15][CH:14]=2)=[O:12])[CH3:9])[CH2:6]1)#[N:2]