HRID1173431

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID18359209

未命名化合物

2 次

结构：CC1(C)OB(c2ccc(OCCN(CC(F)(F)F)c3ccc(C#N)c(C(F)(F)F)c3)cc2)OC1(C)C

HCID86623735

未命名化合物

PRODUCTS

生成物

结构：N#Cc1ccc(N(CCOc2ccc(-c3ncco3)cc2)CC(F)(F)F)cc1C(F)(F)F

HCID11698189

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

结构：c1ccc([P](c2ccccc2)(c2ccccc2)[Pd]([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

催化剂HCID178418397

未命名化合物

PROCEDURE

实验过程

Synthesized as described in Example 40B from 4-[(2-{[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]oxy}ethyl)(2,2,2-trifluoroethyl)amino]-2-(trifluoromethyl)benzonitrile (Example 40A) and 2-iodo-1,3-oxazole (step A above), with the following exceptions: additional 2-iodo-1,3-oxazole (0.3 equiv) was added after 2 h of heating, additional Pd(PPh3)4 (0.005 g) was added after 4 h of heating, and heating was maintained for only 6 h: MS (ESI) m/z 456 (M+1).

WORKUP

后处理

customSynthesized
temperatureof heating
temperatureof heating
temperatureheating
temperaturewas maintained for only 6 h

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9d9d6438dec44a2aab98dbe0918cc714
来源数据集: uspto-grants-2010_11
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07834063B2
来源说明: uspto-grants-2010_11

反应 SMILES

CC1(C)C(C)(C)OB([C:9]2[CH:14]=[CH:13][C:12]([O:15][CH2:16][CH2:17][N:18]([CH2:31][C:32]([F:35])([F:34])[F:33])[C:19]3[CH:26]=[CH:25][C:22]([C:23]#[N:24])=[C:21]([C:27]([F:30])([F:29])[F:28])[CH:20]=3)=[CH:11][CH:10]=2)O1.I[C:38]1[O:39][CH:40]=[CH:41][N:42]=1>C1C=CC([P]([Pd]([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)([P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)[P](C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)(C2C=CC=CC=2)C2C=CC=CC=2)=CC=1>[O:39]1[CH:40]=[CH:41][N:42]=[C:38]1[C:9]1[CH:10]=[CH:11][C:12]([O:15][CH2:16][CH2:17][N:18]([CH2:31][C:32]([F:33])([F:34])[F:35])[C:19]2[CH:26]=[CH:25][C:22]([C:23]#[N:24])=[C:21]([C:27]([F:28])([F:29])[F:30])[CH:20]=2)=[CH:13][CH:14]=1