HRID1408008

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(Oc3cccc(C(F)(F)F)c3)ncn2)c1

HCID66586755

未命名化合物

反应SMILES：Nc1ccc(N2CCCCC2)cc1-c1cc(Oc2cccc(C(F)(F)F)c2)ncn1

HCID69631382

未命名化合物

PRODUCTS

产物

反应SMILES：O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(CNCc3cccc(C(F)(F)F)c3)ccn2)c1

HCID66588110

未命名化合物

PROCEDURE

实验过程

This compound was prepared using the procedure described for the preparation of 3-((3-((4-(piperidin-1-yl)-2-(6-(3-(trifluoromethyl)phenoxy)pyrimidin-4-yl)phenyl)carbamoyl)benzyl)thio)propanoic acid 3.9 from 4-(piperidin-1-yl)-2-(6-(3-(trifluoromethyl)phenoxy)pyrimidin-4-yl)aniline 3.9b. MS (ES, m/z) 662.2 [M+H]+.

WORKUP

后处理

customThis compound was prepared

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-5b1d7a0d0e2043a695064d0b7d2cd014
来源数据集: uspto-grants-2014_12
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08916569B2
来源说明: uspto-grants-2014_12

反应SMILES

[N:1]1([C:7]2[CH:12]=[CH:11][C:10]([NH:13][C:14]([C:16]3[CH:17]=[C:18]([CH:26]=[CH:27][CH:28]=3)[CH2:19][S:20][CH2:21][CH2:22][C:23]([OH:25])=[O:24])=[O:15])=[C:9]([C:29]3C=C(OC4C=CC=C(C(F)(F)F)C=4)N=C[N:30]=3)[CH:8]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.N1(C2C=CC(N)=C(C3C=C(O[C:66]4[CH:71]=[CH:70][CH:69]=[C:68]([C:72]([F:75])([F:74])[F:73])[CH:67]=4)N=CN=3)C=2)CCCCC1>>[N:1]1([C:7]2[CH:12]=[CH:11][C:10]([NH:13][C:14]([C:16]3[CH:17]=[C:18]([CH:26]=[CH:27][CH:28]=3)[CH2:19][S:20][CH2:21][CH2:22][C:23]([OH:25])=[O:24])=[O:15])=[C:9]([C:29]3[CH:29]=[C:9]([CH2:10][NH:13][CH2:14][C:66]4[CH:71]=[CH:70][CH:69]=[C:68]([C:72]([F:73])([F:74])[F:75])[CH:67]=4)[CH:8]=[CH:7][N:30]=3)[CH:8]=2)[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1