HRID23735

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8007

Butylamine

C4H11N

HCID12246

2-Pentanamine

C5H13N

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

HCID22574469

未命名化合物

PRODUCTS

生成物

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

HCID22574479

未命名化合物

PROCEDURE

实验过程

Following the procedure to make (13), 1-methylbutyl amine was substituted for butyl amine to give the title compound after purification. 1H NMR (500 MHz, DMSO-d6): δ 8.45 (s, 2H), 8.12 (s, 1H), 7.37 (d, 2H), 7.24 (t, 2H), 7.17 (t, 1H), 6.79 (d, 1H), 4.35 (s, 2H), 3.60 (d, 2H), 3.41 (m, 1H), 3.30 (water), 2.89 (d, 2H), 2.48 (DMSO), 1.62 (m, 2H), 1.55 (m, 2H), 1.34-1.19 (m, 6H), 0.96 (d, 3H), 0.80 (t, 3H), 0.62 (m, 4H).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3258c750fc7a4b7b9b41b2bdbdd04b43
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

[CH2:1]([NH:5][C:6](=[O:44])[O:7][CH2:8][CH:9]1[CH2:14][CH2:13][CH:12]([CH2:15][N:16]([CH2:37][C:38]2[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=2)[S:17]([NH:20][C:21](=[O:36])[C:22]2[CH:27]=[C:26]([C:28]([F:31])([F:30])[F:29])[CH:25]=[C:24]([C:32]([F:35])([F:34])[F:33])[CH:23]=2)(=[O:19])=[O:18])[CH2:11][CH2:10]1)[CH2:2][CH2:3][CH3:4].[CH3:45]C(N)CCC.C(N)CCC>>[CH3:45][CH:1]([NH:5][C:6](=[O:44])[O:7][CH2:8][CH:9]1[CH2:10][CH2:11][CH:12]([CH2:15][N:16]([CH2:37][C:38]2[CH:43]=[CH:42][CH:41]=[CH:40][CH:39]=2)[S:17]([NH:20][C:21](=[O:36])[C:22]2[CH:23]=[C:24]([C:32]([F:35])([F:33])[F:34])[CH:25]=[C:26]([C:28]([F:30])([F:29])[F:31])[CH:27]=2)(=[O:18])=[O:19])[CH2:13][CH2:14]1)[CH2:2][CH2:3][CH3:4]