HRID1476309

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(S(=O)(=O)C(F)(F)F)c1

HCID25058454

4-{[(2R)-4-(Morpholin-4-yl)-1-(phenylsulfanyl)butan-2-yl]amino}-3-(trifluoromethanesulfonyl)benzene-1-sulfonamide

C21H26F3N3O5S3

2 次

结构：CC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1-c1ccc(Cl)cc1)C1CCN(c2ccc(C(=O)O)cc2)CC1

HCID58080201

未命名化合物

2 次

PRODUCTS

生成物

结构：CC(C)(C)[Si](C)(C)O[C@@H](c1ccccc1-c1ccc(Cl)cc1)C1CCN(c2ccc(C(=O)NS(=O)(=O)c3ccc(N[C@H](CCN4CCOCC4)CSc4ccccc4)c(S(=O)(=O)C(F)(F)F)c3)cc2)CC1

HCID86661876

未命名化合物

收率 33.3%

PROCEDURE

实验过程

The title product (71.4 mg, yield: 33%) was prepared using a procedure similar to the one described for the synthesis of INTERMEDIATE 33. (R)-4-(4-((tert-Butyldimethylsilyloxy)(4′-chlorobiphenyl-2-yl)methyl)piperidin-1-yl)benzoic acid (INTERMEDIATE 13, 106.7 mg, 0.2 mmol) and (R)-4-(4-morpholino-1-(phenylthio)butan-2-ylamino)-3-(trifluoromethylsulfonyl)benzenesulfonamide (INTERMEDIATE 69, 117 mg, 0.21 mmol) were used as starting materials. The resulting product was purified by column chromatography (ISCO, 4 g silica gel column, eluting with 0→100% EtOAc/hexanes), providing the title product.

WORKUP

后处理

customThe resulting product was purified by column chromatography (ISCO, 4 g silica gel column, eluting with 0→100% EtOAc/hexanes)
customproviding the title product

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6d4fce8f979a47c0a3720358e49bd5ea
来源数据集: uspto-grants-2015_04
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09018381B2
来源说明: uspto-grants-2015_04

反应 SMILES

[Si:1]([O:8][C@@H:9]([C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=1[C:31]1[CH:36]=[CH:35][C:34]([Cl:37])=[CH:33][CH:32]=1)[CH:10]1[CH2:15][CH2:14][N:13]([C:16]2[CH:24]=[CH:23][C:19]([C:20]([OH:22])=O)=[CH:18][CH:17]=2)[CH2:12][CH2:11]1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2].[O:38]1[CH2:43][CH2:42][N:41]([CH2:44][CH2:45][C@@H:46]([NH:55][C:56]2[CH:61]=[CH:60][C:59]([S:62]([NH2:65])(=[O:64])=[O:63])=[CH:58][C:57]=2[S:66]([C:69]([F:72])([F:71])[F:70])(=[O:68])=[O:67])[CH2:47][S:48][C:49]2[CH:54]=[CH:53][CH:52]=[CH:51][CH:50]=2)[CH2:40][CH2:39]1>>[Si:1]([O:8][C@@H:9]([C:25]1[CH:30]=[CH:29][CH:28]=[CH:27][C:26]=1[C:31]1[CH:36]=[CH:35][C:34]([Cl:37])=[CH:33][CH:32]=1)[CH:10]1[CH2:11][CH2:12][N:13]([C:16]2[CH:17]=[CH:18][C:19]([C:20]([NH:65][S:62]([C:59]3[CH:60]=[CH:61][C:56]([NH:55][C@H:46]([CH2:45][CH2:44][N:41]4[CH2:42][CH2:43][O:38][CH2:39][CH2:40]4)[CH2:47][S:48][C:49]4[CH:54]=[CH:53][CH:52]=[CH:51][CH:50]=4)=[C:57]([S:66]([C:69]([F:71])([F:72])[F:70])(=[O:68])=[O:67])[CH:58]=3)(=[O:63])=[O:64])=[O:22])=[CH:23][CH:24]=2)[CH2:14][CH2:15]1)([C:4]([CH3:7])([CH3:6])[CH3:5])([CH3:3])[CH3:2]