HRID1037330

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10443591

2-(4-Bromophenyl)-2-methylpropanenitrile

C10H10BrN

结构：CC(C)(C)S(=O)NC1(c2ccc(-c3c(-c4ccccc4)oc4c(ccn5c(=O)n(COCC[Si](C)(C)C)nc45)c3=O)cn2)CCC1

HCID86671051

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C#N)c1ccc(-c2c(-c3ccccc3)oc3c(ccn4c(=O)n(COCC[Si](C)(C)C)nc34)c2=O)cc1

HCID86671052

未命名化合物

收率 99%

PROCEDURE

实验过程

Following the procedure used to prepare 2-methyl-propane-2-sulfinic acid (1-{5-[3,6-dioxo-8-phenyl-2-(2-trimethylsilanyl-ethoxymethyl)-2,6-dihydro-3H-9-oxa-1,2,3a-triaza-cyclopenta[a]naphthalen-7-yl]-pyridin-2-yl}-cyclobutyl)-amide, 2-(4-bromo-phenyl)-2-methyl-propionitrile was reacted to give the title compound (55 mg, 99%). LCMS (Method A): RT=4.83 min, [M+H]+=553.

WORKUP

后处理

customwas reacted

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9ac25621d0c44b44bd8741a96f6f5077
来源数据集: uspto-grants-2013_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08546376B2
来源说明: uspto-grants-2013_10

反应 SMILES

[O:1]=[C:2]1[N:6]2[CH:7]=[CH:8][C:9]3[C:10](=[O:38])[C:11]([C:21]4[CH:22]=[CH:23][C:24]([C:27]5(NS(C(C)(C)C)=O)CC[CH2:28]5)=NC=4)=[C:12]([C:15]4[CH:20]=[CH:19][CH:18]=[CH:17][CH:16]=4)[O:13][C:14]=3[C:5]2=[N:4][N:3]1[CH2:39][O:40][CH2:41][CH2:42][Si:43]([CH3:46])([CH3:45])[CH3:44].BrC1C=C[C:51]([C:54](C)([CH3:57])[C:55]#[N:56])=CC=1>>[O:1]=[C:2]1[N:6]2[CH:7]=[CH:8][C:9]3[C:10](=[O:38])[C:11]([C:21]4[CH:28]=[CH:27][C:24]([C:54]([CH3:57])([CH3:51])[C:55]#[N:56])=[CH:23][CH:22]=4)=[C:12]([C:15]4[CH:16]=[CH:17][CH:18]=[CH:19][CH:20]=4)[O:13][C:14]=3[C:5]2=[N:4][N:3]1[CH2:39][O:40][CH2:41][CH2:42][Si:43]([CH3:44])([CH3:45])[CH3:46]