HRID78356

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID600637

2-Methoxy-5-(trifluoromethyl)aniline

C8H8F3NO

HCID11983909

2-METHOXY-5-TRIFLUOROMETHYLPHENYL ISOCYANATE

C9H6F3NO2

2 次

HCID23009036

未命名化合物

PRODUCTS

生成物

HCID23009036

未命名化合物

结构：COc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(C(=O)O)c1

HCID23614600

未命名化合物

PROCEDURE

实验过程

Entry 37: 4-(3-Carboxyphenoxy)aniline was synthesized according to Method A11. 5-(Trifluoromethyl)-2-methoxyaniline was converted into 5-(trifluoromethyl)-2-methoxyphenyl isocyanate according to Method B1. 4-(3-Carboxyphenoxy)aniline was reacted with 5-(trifluoromethyl)-2-methoxyphenyl isocyanate according to Method C1f to afford N-(5-(trifluoromethyl)-2-methoxyphenyl)-N′-(3-carboxyphenyl)urea, which was coupled with 4-(dimethylamino)aniline according to Method D1c.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-13bb777dbf4045ef9deaed4294272239
来源数据集: uspto-grants-2014_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08841330B2
来源说明: uspto-grants-2014_09

反应 SMILES

[F:1][C:2]([F:13])([F:12])[C:3]1[CH:4]=[CH:5][C:6]([O:10][CH3:11])=[C:7]([CH:9]=1)[NH2:8].FC(F)(F)C1C=CC(OC)=C([N:22]=[C:23]=[O:24])C=1.[C:29]([C:32]1[CH:33]=[C:34]([CH:43]=[CH:44][CH:45]=1)[O:35][C:36]1[CH:42]=[CH:41][C:39]([NH2:40])=[CH:38][CH:37]=1)([OH:31])=[O:30]>>[C:29]([C:32]1[CH:33]=[C:34]([CH:43]=[CH:44][CH:45]=1)[O:35][C:36]1[CH:42]=[CH:41][C:39]([NH2:40])=[CH:38][CH:37]=1)([OH:31])=[O:30].[F:1][C:2]([F:12])([F:13])[C:3]1[CH:4]=[CH:5][C:6]([O:10][CH3:11])=[C:7]([NH:8][C:23]([NH:22][C:34]2[CH:43]=[CH:44][CH:45]=[C:32]([C:29]([OH:31])=[O:30])[CH:33]=2)=[O:24])[CH:9]=1