HRID10997

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID523102

p-(Trifluoromethoxy)benzenesulphonyl chloride

C7H4ClF3O3S

结构：CC(C)(C)OC(=O)NC(=N)c1ccc(CNC(=O)[C@@H]2CCc3ncc(NS(C)(=O)=O)c(=O)n32)cc1

HCID145857232

未命名化合物

结构：CCN(CC)c1cnc2n(c1=O)[C@H](C(=O)NCc1ccc(C(=N)NC(=O)OC(C)(C)C)cc1)CC2

HCID145857233

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC(=N)c1ccc(CNC(=O)[C@@H]2CCc3ncc(NS(=O)(=O)c4ccc(OC(F)(F)F)cc4)c(=O)n32)cc1

HCID145857204

未命名化合物

收率 41.6%

PROCEDURE

实验过程

Following a procedure similar to that for the preparation of 16a, intermediate 3a (50 mg, 0.117 mmol) and 4-(trifluoromethoxy)benzene sulfonyl chloride (39.6 mg, 0.152 mmol) yielded 31.7 mg (41.6%) of 33a. MS (ESI) 651.0 (M+H+).

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4c34701dba374642a831397d727793bd
来源数据集: uspto-grants-2006_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07094783B2
来源说明: uspto-grants-2006_08

反应 SMILES

[C:1]([O:5][C:6](=[O:35])[NH:7][C:8](=[NH:34])[C:9]1[CH:14]=[CH:13][C:12]([CH2:15][NH:16][C:17]([C@H:19]2[N:23]3[C:24](=[O:33])[C:25]([NH:28][S:29]([CH3:32])(=[O:31])=[O:30])=[CH:26][N:27]=[C:22]3[CH2:21][CH2:20]2)=[O:18])=[CH:11][CH:10]=1)([CH3:4])([CH3:3])[CH3:2].C(OC(=O)NC(C1C=CC(CNC([C@H]2N3C(=O)C(N(CC)CC)=CN=C3CC2)=O)=CC=1)=N)(C)(C)C.[F:71][C:72]([F:85])([F:84])[O:73][C:74]1[CH:79]=[CH:78]C(S(Cl)(=O)=O)=[CH:76][CH:75]=1>>[C:1]([O:5][C:6](=[O:35])[NH:7][C:8](=[NH:34])[C:9]1[CH:14]=[CH:13][C:12]([CH2:15][NH:16][C:17]([C@H:19]2[N:23]3[C:24](=[O:33])[C:25]([NH:28][S:29]([C:32]4[CH:78]=[CH:79][C:74]([O:73][C:72]([F:85])([F:84])[F:71])=[CH:75][CH:76]=4)(=[O:31])=[O:30])=[CH:26][N:27]=[C:22]3[CH2:21][CH2:20]2)=[O:18])=[CH:11][CH:10]=1)([CH3:4])([CH3:2])[CH3:3]