HRID23729

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID7412

Benzoyl chloride

C7H5ClO

HCID61186

Valeryl chloride

C5H9ClO

结构：O=C(NS(=O)(=O)N(Cc1ccccc1)CC1CCC(COC(=O)c2ccccc2)CC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1

HCID22574465

未命名化合物

PRODUCTS

生成物

结构：CCCCC(=O)OCC1CCC(CN(Cc2ccccc2)S(=O)(=O)NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1

HCID20757649

未命名化合物

PROCEDURE

实验过程

Following procedure to make (5), valeryl chloride was substituted for benzoyl chloride to give the title compound after purification. 1H NMR (500 MHz, DMSO-d6): δ 8.45 (s, 2H), 8.14 (s, 1H), 7.36 (d, 2H), 7.25 (t, 2H), 7.17 (t, 1H), 4.38 (s, 2H), 3.70 (d, 2H), 3.30 (water), 2.917 (d, 2H), 2.48 (DMSO), 2.22 (t, 2H), 1.62 (m, 2H), 1.52 (m, 2H), 1.45 (m, 2H), 1.37 (m, 1H), 1.26 (m, 1H), 1.22 (m, 2H), 0.82 (t, 3H), 0.63 (m, 4H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d6f2eef6b0f444038a9660dc991fff7e
来源数据集: uspto-grants-2005_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06852738B2
来源说明: uspto-grants-2005_02

反应 SMILES

[C:1]([O:9][CH2:10][CH:11]1[CH2:16][CH2:15][CH:14]([CH2:17][N:18]([CH2:39][C:40]2[CH:45]=[CH:44][CH:43]=[CH:42][CH:41]=2)[S:19]([NH:22][C:23](=[O:38])[C:24]2[CH:29]=[C:28]([C:30]([F:33])([F:32])[F:31])[CH:27]=[C:26]([C:34]([F:37])([F:36])[F:35])[CH:25]=2)(=[O:21])=[O:20])[CH2:13][CH2:12]1)(=[O:8])[C:2]1C=C[CH:5]=[CH:4][CH:3]=1.C(Cl)(=O)CCCC.C(Cl)(=O)C1C=CC=CC=1>>[C:1]([O:9][CH2:10][CH:11]1[CH2:16][CH2:15][CH:14]([CH2:17][N:18]([CH2:39][C:40]2[CH:41]=[CH:42][CH:43]=[CH:44][CH:45]=2)[S:19]([NH:22][C:23](=[O:38])[C:24]2[CH:25]=[C:26]([C:34]([F:35])([F:36])[F:37])[CH:27]=[C:28]([C:30]([F:33])([F:31])[F:32])[CH:29]=2)(=[O:21])=[O:20])[CH2:13][CH2:12]1)(=[O:8])[CH2:2][CH2:3][CH2:4][CH3:5]