HRID1094914

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：COCc1cn2ncnc(N)c2c1-c1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)c(F)c1

HCID57758195

未命名化合物

HCID66641297

未命名化合物

PRODUCTS

生成物

结构：COCc1c(-c2ccc(NC(=O)Nc3cc(C(F)(F)F)ccc3F)cc2)c2c(N)ncnn2c1C1COCCN1C.Cl

HCID66641291

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

A solution of Intermediate AB (N-{4-[4-amino-6-(methoxymethyl)pyrrolo[2,1-f][1,2,4]triazin-5-yl]-2-fluorophenyl}-N′-[2-fluoro-5-(trifluoromethyl)-phenyl]urea (200 mg, 0.42 mmol) and 4-methyl-3,6-dihydro-2H-1,4-oxazin-4-ium chloride (69 mg, 0.51 mmol) in DMF (5 mL) is allowed to stir for 1 h at rt. Volatiles are removed in vacuo, and the residue triturated with CH2Cl2, providing the desired compound.

WORKUP

后处理

customVolatiles are removed in vacuo
customthe residue triturated with CH2Cl2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0661eb6fab8247bba7d598290cbd6a3d
来源数据集: uspto-grants-2012_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08133995B2
来源说明: uspto-grants-2012_03

反应 SMILES

[NH2:1][C:2]1[C:7]2=[C:8]([C:14]3[CH:19]=[CH:18][C:17]([NH:20][C:21]([NH:23][C:24]4[CH:29]=[C:28]([C:30]([F:33])([F:32])[F:31])[CH:27]=[CH:26][C:25]=4[F:34])=[O:22])=[C:16](F)[CH:15]=3)[C:9]([CH2:11][O:12][CH3:13])=[CH:10][N:6]2[N:5]=[CH:4][N:3]=1.[Cl-:36].[CH3:37][N+:38]1[CH2:39][CH2:40][O:41][CH2:42][CH:43]=1>CN(C=O)C>[ClH:36].[NH2:1][C:2]1[C:7]2=[C:8]([C:14]3[CH:19]=[CH:18][C:17]([NH:20][C:21]([NH:23][C:24]4[CH:29]=[C:28]([C:30]([F:33])([F:31])[F:32])[CH:27]=[CH:26][C:25]=4[F:34])=[O:22])=[CH:16][CH:15]=3)[C:9]([CH2:11][O:12][CH3:13])=[C:10]([CH:43]3[CH2:42][O:41][CH2:40][CH2:39][N:38]3[CH3:37])[N:6]2[N:5]=[CH:4][N:3]=1