HRID1200300

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6422

未命名化合物

HCID7519

Anisole

C7H8O

$结构：CC(=O)Oc1ccc(C(O/N=C(\C(=O)N[C@@H]2C(=O)N3C(C(=O)OC(c4ccccc4)c4ccccc4)=C(CSc4cc(C)nc5nc(C(=O)OC(c6ccccc6)c6ccccc6)nn45)CS[C@H]23)c2csc(N)n2)C(=O)OC(c2ccccc2)c2ccccc2)cc1OC(C)=O$

HCID16170827

未命名化合物

PRODUCTS

生成物

$结构：CC(=O)Oc1ccc(C(O/N=C(\C(=O)N[C@@H]2C(=O)N3C(C(=O)O)=C(CSc4cc(C)nc5nc(C(=O)O)nn45)CS[C@H]23)c2csc(N)n2)C(=O)O)cc1OC(C)=O$

HCID14050781

未命名化合物

收率 109.8%

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 2 (0.87 g) in dichloroethane (1.6 ml) were added anisole (0.8 ml) and trifluoroacetic acid (2.4 ml) under ice cooling, and the resultng solution was stirred at room temperature for two hours. After removing the solvent by decantation, the residue was washed with dichloroethane and crystallized with ether, giving 0.6 g of the objective compound (as trifluoroacetic acid salt).

WORKUP

后处理

customAfter removing the solvent by decantation
washthe residue was washed with dichloroethane
customcrystallized with ether

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7a7a0634a0324a37af7495d75e8640ef
来源数据集: uspto-grants-1990_02
DOI: 10.6084/m9.figshare.5104873.v1
专利: US04904791
来源说明: uspto-grants-1990_02

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[N:32]4[N:33]=[C:34]([C:36]([O:38]C(C5C=CC=CC=5)C5C=CC=CC=5)=[O:37])[N:35]=[C:31]4[N:30]=[C:29]([CH3:52])[CH:28]=2)[C@H:20]([NH:53][C:54](=[O:95])/[C:55](/[C:89]2[N:90]=[C:91]([NH2:94])[S:92][CH:93]=2)=[N:56]\[O:57][CH:58]([C:73]([O:75]C(C2C=CC=CC=2)C2C=CC=CC=2)=[O:74])[C:59]2[CH:64]=[CH:63][C:62]([O:65][C:66](=[O:68])[CH3:67])=[C:61]([O:69][C:70](=[O:72])[CH3:71])[CH:60]=2)[C:19]3=[O:96])=[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>[NH2:94][C:91]1[S:92][CH:93]=[C:89](/[C:55](=[N:56]/[O:57][CH:58]([C:73]([OH:75])=[O:74])[C:59]2[CH:64]=[CH:63][C:62]([O:65][C:66](=[O:68])[CH3:67])=[C:61]([O:69][C:70](=[O:72])[CH3:71])[CH:60]=2)/[C:54]([NH:53][C@@H:20]2[C:19](=[O:96])[N:18]3[C@@H:21]2[S:22][CH2:23][C:24]([CH2:25][S:26][C:27]2[N:32]4[N:33]=[C:34]([C:36]([OH:38])=[O:37])[N:35]=[C:31]4[N:30]=[C:29]([CH3:52])[CH:28]=2)=[C:17]3[C:15]([OH:16])=[O:14])=[O:95])[N:90]=1