HRID1710974

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID21890860

2-Methoxybenzeneacetyl isothiocyanate

C10H9NO2S

结构：CS(=O)(=O)c1ccc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)cc1

HCID58772875

未命名化合物

结构：CN(CCn1cc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)cn1)C(=O)OC(C)(C)C

HCID59457747

未命名化合物

PRODUCTS

生成物

结构：COc1ccccc1CC(=O)NC(=S)Nc1ccc(Oc2ccnc3cc(-c4cnn(CCN(C)C(=O)OC(C)(C)C)c4)sc23)c(F)c1

HCID59424686

未命名化合物

收率 90%

PROCEDURE

实验过程

Starting from the amine 182, following the procedure described above for the synthesis of compound 50 (scheme 10, example 55) but replacing 2-phenylacetyl isothiocyanate with 2-(2-methoxyphenyl)acetyl isothiocyanate, title compound 183 was obtained in 90% yield. LRMS (M+1) 691.2 (100%).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e0aa1dce1d648d594b5bea3322ae24e
来源数据集: uspto-grants-2010_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07790729B2
来源说明: uspto-grants-2010_09

反应 SMILES

[NH2:1][C:2]1[CH:33]=[CH:32][C:5]([O:6][C:7]2[CH:12]=[CH:11][N:10]=[C:9]3[CH:13]=[C:14]([C:16]4[CH:17]=[N:18][N:19]([CH2:21][CH2:22][N:23]([CH3:31])[C:24](=[O:30])[O:25][C:26]([CH3:29])([CH3:28])[CH3:27])[CH:20]=4)[S:15][C:8]=23)=[C:4]([F:34])[CH:3]=1.FC1C=C(NC(NC(=O)CC2C=CC=CC=2)=S)C=CC=1OC1C=CN=C2C=C(C3C=CC(S(C)(=O)=O)=CC=3)SC=12.[CH3:75][O:76][C:77]1[CH:82]=[CH:81][CH:80]=[CH:79][C:78]=1[CH2:83][C:84]([N:86]=[C:87]=[S:88])=[O:85]>>[F:34][C:4]1[CH:3]=[C:2]([NH:1][C:87]([NH:86][C:84](=[O:85])[CH2:83][C:78]2[CH:79]=[CH:80][CH:81]=[CH:82][C:77]=2[O:76][CH3:75])=[S:88])[CH:33]=[CH:32][C:5]=1[O:6][C:7]1[CH:12]=[CH:11][N:10]=[C:9]2[CH:13]=[C:14]([C:16]3[CH:17]=[N:18][N:19]([CH2:21][CH2:22][N:23]([CH3:31])[C:24](=[O:30])[O:25][C:26]([CH3:27])([CH3:28])[CH3:29])[CH:20]=3)[S:15][C:8]=12