HRID1662824

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

结构：CC(C)(C)OC(=O)N1CCC(S(=O)(=O)c2ccc(Nc3ncc(NC(=O)c4cc(NC(=O)c5cccs5)ccc4Cl)cn3)cc2)CC1

HCID59652704

未命名化合物

PRODUCTS

生成物

HCID6422

未命名化合物

收率 87%

结构：O=C(Nc1ccc(Cl)c(C(=O)Nc2cnc(Nc3ccc(S(=O)(=O)C4CCNCC4)cc3)nc2)c1)c1cccs1

HCID24960368

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6344

Dichloromethane

CH2Cl2

PROCEDURE

实验过程

A stirred suspension of intermediate 26 (Example 37) (0.10 g, 0.143 mmol) in DCM (8 mL) was treated with TFA (0.200 mL) and stirred for 3 h. Solvents were then removed yielding desired product as TFA salt (0.075 g, 87%). 1H NMR (DMSO-d6): δ 1.61-1.70 (m, 2H), 2.01-2.04 (m, 2H), 2.80-2.90 (m, 2H), 7.23-7.27 (m, 1H), 7.58 (d, J=8.8 Hz, 1H), 7.74 (d, J=8.9 Hz, 2H), 7.86-7.91 (m, 2H), 8.04-8.05 (m, 4H), 8.21-8.25 (m, 1H), 8.65-8.69 (m, 1H), 8.9 (s, 2H), 10.37 (s, 1H), 10.53 (s, 1H), 10.79 (s, 1H).

WORKUP

后处理

customSolvents were then removed

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4dcd1a6e418a441cab47538cbecd86d3
来源数据集: uspto-grants-2011_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08030487B2
来源说明: uspto-grants-2011_10

反应 SMILES

C(OC([N:8]1[CH2:13][CH2:12][CH:11]([S:14]([C:17]2[CH:22]=[CH:21][C:20]([NH:23][C:24]3[N:29]=[CH:28][C:27]([NH:30][C:31](=[O:47])[C:32]4[CH:37]=[C:36]([NH:38][C:39]([C:41]5[S:42][CH:43]=[CH:44][CH:45]=5)=[O:40])[CH:35]=[CH:34][C:33]=4[Cl:46])=[CH:26][N:25]=3)=[CH:19][CH:18]=2)(=[O:16])=[O:15])[CH2:10][CH2:9]1)=O)(C)(C)C.[C:48]([OH:54])([C:50]([F:53])([F:52])[F:51])=[O:49]>C(Cl)Cl>[Cl:46][C:33]1[CH:34]=[CH:35][C:36]([NH:38][C:39]([C:41]2[S:42][CH:43]=[CH:44][CH:45]=2)=[O:40])=[CH:37][C:32]=1[C:31](=[O:47])[NH:30][C:27]1[CH:28]=[N:29][C:24]([NH:23][C:20]2[CH:19]=[CH:18][C:17]([S:14]([CH:11]3[CH2:10][CH2:9][NH:8][CH2:13][CH2:12]3)(=[O:15])=[O:16])=[CH:22][CH:21]=2)=[N:25][CH:26]=1.[C:48]([OH:54])([C:50]([F:53])([F:52])[F:51])=[O:49]