HRID625403

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75257

Benzoyl chloride, 3-(trifluoromethyl)-

C8H4ClF3O

反应SMILES：O=C(O)CCSCc1cccc(C(=O)Nc2ccc(N3CCCCC3)cc2-c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccn2)c1

HCID68087386

未命名化合物

PRODUCTS

产物

反应SMILES：Cc1ccc(C(=O)Nc2ccnc(-c3cc(N4CCCCC4)ccc3NC(=O)c3cccc(CSCCC(=O)O)c3)c2)cc1C

HCID66587978

未命名化合物

PROCEDURE

实验过程

This compound was prepared by the route used to prepare 3-((3-((4-(piperidin-1-yl)-2-(4-(3-(trifluoromethyl)benzamido)pyridin-2-yl)phenyl)carbamoyl)benzyl)thio)propanoic acid 73, substituting 3,4-dimethylbenzoyl chloride for 3-(trifluoromethyl)benzoyl chloride. 1H-NMR (300 MHz, CD3OD, ppm): δ 8.71-8.65 (m, 2H), 7.96-7.84 (m, 3H), 7.77-7.70 (m, 3H), 7.55-7.41 (m, 4H), 7.33 (d, J=8.1 Hz, 1H), 2.63 (s, 2H), 2.60 (d, J=6.9 Hz, 4H), 2.63-2.58 (m, 2H), 2.52-2.46 (m, 2H), 2.38 (s, 6H), 1.90-1.74 (m, 6H). MS (ES, m/z): 623 [M+H]+.

WORKUP

后处理

customThis compound was prepared by the route

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-afbb5796eeb24149b92758fb0c71601d
来源数据集: uspto-grants-2016_04
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US09301951B2
来源说明: uspto-grants-2016_04

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]3[CH:34]=[C:33]([NH:35][C:36](=[O:47])[C:37]4[CH:42]=[CH:41][CH:40]=[C:39]([C:43](F)(F)F)[CH:38]=4)[CH:32]=[CH:31][N:30]=3)[CH:8]=2)[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]1.F[C:49](F)(F)C1C=C(C=CC=1)C(Cl)=O>>[CH3:43][C:39]1[CH:38]=[C:37]([CH:42]=[CH:41][C:40]=1[CH3:49])[C:36]([NH:35][C:33]1[CH:32]=[CH:31][N:30]=[C:29]([C:9]2[CH:8]=[C:7]([N:1]3[CH2:6][CH2:5][CH2:4][CH2:3][CH2:2]3)[CH:12]=[CH:11][C:10]=2[NH:13][C:14]([C:16]2[CH:17]=[C:18]([CH:26]=[CH:27][CH:28]=2)[CH2:19][S:20][CH2:21][CH2:22][C:23]([OH:25])=[O:24])=[O:15])[CH:34]=1)=[O:47]