HRID1032189

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID7519

Anisole

C7H8O

$结构：Cc1cc(=O)n2nc(SCC3=C(C(=O)OC(c4ccccc4)c4ccccc4)N4C(=O)[C@@H](NC(=O)/C(=N\OC(=O)c5cc(OC(=O)CCl)c(OC(=O)CCl)cc5C)c5csc(NC(c6ccccc6)(c6ccccc6)c6ccccc6)n5)[C@H]4SC3)sc2n1$

HCID16166549

未命名化合物

PRODUCTS

生成物

$结构：Cc1cc(=O)n2nc(SCC3=C(C(=O)O)N4C(=O)[C@@H](NC(=O)/C(=N\OC(=O)c5cc(OC(=O)CCl)c(OC(=O)CCl)cc5C)c5csc(N)n5)[C@H]4SC3)sc2n1$

HCID14124722

未命名化合物

收率 93.3%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6365

1,1-Dichloroethane

C2H4Cl2

PROCEDURE

实验过程

To a solution of the product obtained in Step 5 (0.47 g) in dichloroethane (3.5 ml) were added anisole (0.23 ml) and trifluoroacetic acid (0.47 ml) under ice cooling, and the resulting solution was stirred at room temperature for five hours. After removing the solvent under reduced pressure, the residue was crystallized with ether, giving 0.3 g of the objective compound (as trifluoroacetic acid salt).

WORKUP

后处理

customAfter removing the solvent under reduced pressure
customthe residue was crystallized with ether

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-536a286ee74e48deb5260c0a73209abe
来源数据集: uspto-grants-1990_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04956474
来源说明: uspto-grants-1990_09

反应 SMILES

C1(C([O:14][C:15]([C:17]2[N:18]3[C@H:21]([S:22][CH2:23][C:24]=2[CH2:25][S:26][C:27]2[S:37][C:30]4=[N:31][C:32]([CH3:36])=[CH:33][C:34](=[O:35])[N:29]4[N:28]=2)[C@H:20]([NH:38][C:39](=[O:87])/[C:40](/[C:62]2[N:63]=[C:64]([NH:67]C(C4C=CC=CC=4)(C4C=CC=CC=4)C4C=CC=CC=4)[S:65][CH:66]=2)=[N:41]\[O:42][C:43](=[O:61])[C:44]2[CH:49]=[C:48]([O:50][C:51](=[O:54])[CH2:52][Cl:53])[C:47]([O:55][C:56](=[O:59])[CH2:57][Cl:58])=[CH:46][C:45]=2[CH3:60])[C:19]3=[O:88])=[O:16])C2C=CC=CC=2)C=CC=CC=1.C1(OC)C=CC=CC=1.FC(F)(F)C(O)=O>ClC(Cl)C>[NH2:67][C:64]1[S:65][CH:66]=[C:62](/[C:40](=[N:41]/[O:42][C:43](=[O:61])[C:44]2[CH:49]=[C:48]([O:50][C:51](=[O:54])[CH2:52][Cl:53])[C:47]([O:55][C:56](=[O:59])[CH2:57][Cl:58])=[CH:46][C:45]=2[CH3:60])/[C:39]([NH:38][C@@H:20]2[C:19](=[O:88])[N:18]3[C@@H:21]2[S:22][CH2:23][C:24]([CH2:25][S:26][C:27]2[S:37][C:30]4=[N:31][C:32]([CH3:36])=[CH:33][C:34](=[O:35])[N:29]4[N:28]=2)=[C:17]3[C:15]([OH:16])=[O:14])=[O:87])[N:63]=1