HRID899484

反应详情

EQUATION

反应方程式

REACTANTS

反应物

反应SMILES：C[C@@H](NC(=O)c1cc(CBr)cc(N(C)S(C)(=O)=O)c1)c1ccc(F)cc1

HCID16094314

未命名化合物

反应SMILES：CCCCC(N)(COCc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)Cc1ccccc1

HCID58856333

未命名化合物

HCID67318234

β-Amino-β-ethylbenzenepropanol

C11H17NO

PRODUCTS

产物

反应SMILES：CCC(N)(COCc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)cc(N(C)S(C)(=O)=O)c1)Cc1ccccc1

HCID11203538

未命名化合物

PROCEDURE

实验过程

Prepared from 3-(N-methyl-N-(methylsulfonyl)amino)-5-(bromomethyl)-N-((R)-1-(4-fluorophenyl)ethyl)benzamide and 2-amino-2-benzylbutan-1-ol using a similar procedure as described for the preparation of 3-{[(2-amino-2-benzylhexyl)oxy]methyl}-N-[(1R)-1-(4-fluorophenyl)ethyl]-5-[methyl(methyl sulfonyl)amino]benzamide (Example 4). HRMS ES calculated for C29H36FN3O4S: 542.2484, found: 542.2484.

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-6565758765984c5c8e1c7d90b5a7ae59
来源数据集: uspto-grants-2008_04
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US07354942B2
来源说明: uspto-grants-2008_04

反应SMILES

CN(C1C=C(C=C(CBr)C=1)C(N[C@@H](C1C=CC(F)=CC=1)C)=O)S(C)(=O)=O.NC(CC1C=CC=CC=1)(CC)CO.[NH2:40][C:41]([CH2:73][C:74]1[CH:79]=[CH:78][CH:77]=[CH:76][CH:75]=1)([CH2:69][CH2:70]CC)[CH2:42][O:43][CH2:44][C:45]1[CH:46]=[C:47]([CH:60]=[C:61]([N:63]([CH3:68])[S:64]([CH3:67])(=[O:66])=[O:65])[CH:62]=1)[C:48]([NH:50][C@@H:51]([C:53]1[CH:58]=[CH:57][C:56]([F:59])=[CH:55][CH:54]=1)[CH3:52])=[O:49]>>[NH2:40][C:41]([CH2:69][CH3:70])([CH2:73][C:74]1[CH:75]=[CH:76][CH:77]=[CH:78][CH:79]=1)[CH2:42][O:43][CH2:44][C:45]1[CH:46]=[C:47]([CH:60]=[C:61]([N:63]([CH3:68])[S:64]([CH3:67])(=[O:65])=[O:66])[CH:62]=1)[C:48]([NH:50][C@@H:51]([C:53]1[CH:54]=[CH:55][C:56]([F:59])=[CH:57][CH:58]=1)[CH3:52])=[O:49]