HRID601423

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

结构：CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)NCCNC(=O)OC(C)(C)C)ccc3N2)c(O)c2cccnc21

HCID136358519

未命名化合物

PRODUCTS

生成物

结构：CC(C)CCn1c(=O)c(C2=NS(=O)(=O)c3cc(NS(=O)(=O)NCCN)ccc3N2)c(O)c2cccnc21

HCID135410990

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID31275

1,4-Dioxane

C4H8O2

PROCEDURE

实验过程

A solution of the product of Example 459A (0.0053 g, 0.0082 mmol) in a solution of hydrogen chloride in 1,4-dioxane (4 N, 3 mL) and stirred at 25° C. and stirred for 18 hours. The solvent was removed under reduced pressure to give the title compound as the hydrochloride salt (4 mg, 89%). 1H NMR (300 MHz, DMSO-d6) δ 0.99 (d, J=6.62 Hz, 6 H) 1.56 (m, 2 H) 1.68 (m, 1 H) 2.89 (m, 2 H) 3.10 (m, 2 H) 4.49 (m, 2 H) 7.51 (m, 2 H) 7.62 (d, J=2.21 Hz, 1 H) 7.74 (d, J=8.82 Hz, 1 H) 7.79 (s, 2 H) 8.03 (t, J=5.70 Hz, 1 H) 8.56 (dd, J=7.72, 1.84 Hz, 1 H) 8.89 (dd, J=4.41, 1.84 Hz, 1 H) 10.37 (s, 1 H) 14.16 (s, 1 H). MS (ESI−) m/z 548 (M−H)−.

WORKUP

后处理

customThe solvent was removed under reduced pressure

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d0a8d2a60b84660994d6e5fbbfd2489
来源数据集: uspto-grants-2011_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07902203B2
来源说明: uspto-grants-2011_03

反应 SMILES

[OH:1][C:2]1[C:11]2[C:6](=[N:7][CH:8]=[CH:9][CH:10]=2)[N:5]([CH2:12][CH2:13][CH:14]([CH3:16])[CH3:15])[C:4](=[O:17])[C:3]=1[C:18]1[NH:23][C:22]2[CH:24]=[CH:25][C:26]([NH:28][S:29]([NH:32][CH2:33][CH2:34][NH:35]C(=O)OC(C)(C)C)(=[O:31])=[O:30])=[CH:27][C:21]=2[S:20](=[O:44])(=[O:43])[N:19]=1.Cl>O1CCOCC1>[NH2:35][CH2:34][CH2:33][NH:32][S:29]([NH:28][C:26]1[CH:25]=[CH:24][C:22]2[NH:23][C:18]([C:3]3[C:4](=[O:17])[N:5]([CH2:12][CH2:13][CH:14]([CH3:16])[CH3:15])[C:6]4[C:11]([C:2]=3[OH:1])=[CH:10][CH:9]=[CH:8][N:7]=4)=[N:19][S:20](=[O:43])(=[O:44])[C:21]=2[CH:27]=1)(=[O:30])=[O:31]