HRID2170390

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cn1nc(NS(C)(=O)=O)c2c(Cl)ccc(-c3cc(N)cnc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)c21

HCID90281283

未命名化合物

结构：Cn1nc(NS(C)(=O)=O)c2c(Cl)ccc(-c3cc(N)cnc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)OC(C)(C)C)c21

HCID90290153

未命名化合物

PRODUCTS

生成物

结构：Cn1nc(NS(C)(=O)=O)c2c(Cl)ccc(-c3cc(N)c(Cl)nc3[C@H](Cc3cc(F)cc(F)c3)NC(=O)Cn3nc(C(F)F)c4c3C(F)(F)[C@@H]3C[C@H]43)c21

HCID90281413

未命名化合物

PROCEDURE

实验过程

Compound 53B was prepared according to the method presented for the synthesis of compound 49C in Example 49 substituting 53A for 49A to provide the title compound: 1H NMR (400 MHz, methanol-d4) δ 7.17-6.94 (m, 2H), 6.87-6.54 (m, 2H), 6.53-6.19 (m, 3H), 4.96 (s, 1H), 4.72 (dd, 2H), 3.41 (s, 2H), 3.24 (d, 3H), 3.16-2.88 (m, 3H), 1.38 (dt, 1H), 1.13-0.99 (m, 1H). MS (m/z) 787 [M+H]+.

WORKUP

后处理

customCompound 53B was prepared

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-28046370cba94f9581c888e1ff1ad479
来源数据集: uspto-grants-2015_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09050344B2
来源说明: uspto-grants-2015_06

反应 SMILES

[NH2:1][C:2]1[CH:3]=[C:4]([C:36]2[CH:37]=[CH:38][C:39]([Cl:51])=[C:40]3[C:44]=2[N:43]([CH3:45])[N:42]=[C:41]3[NH:46][S:47]([CH3:50])(=[O:49])=[O:48])[C:5]([C@@H:8]([NH:18][C:19](=[O:35])[CH2:20][N:21]2[C:25]3[C:26]([F:31])([F:30])[C@@H:27]4[CH2:29][C@@H:28]4[C:24]=3[C:23]([CH:32]([F:34])[F:33])=[N:22]2)[CH2:9][C:10]2[CH:15]=[C:14]([F:16])[CH:13]=[C:12]([F:17])[CH:11]=2)=[N:6][CH:7]=1.NC1C=C(C2C=CC([Cl:92])=C3C=2N(C)N=C3NS(C)(=O)=O)C([C@@H](NC(=O)OC(C)(C)C)CC2C=C(F)C=C(F)C=2)=NC=1>>[NH2:1][C:2]1[CH:3]=[C:4]([C:36]2[CH:37]=[CH:38][C:39]([Cl:51])=[C:40]3[C:44]=2[N:43]([CH3:45])[N:42]=[C:41]3[NH:46][S:47]([CH3:50])(=[O:48])=[O:49])[C:5]([C@@H:8]([NH:18][C:19](=[O:35])[CH2:20][N:21]2[C:25]3[C:26]([F:31])([F:30])[C@@H:27]4[CH2:29][C@@H:28]4[C:24]=3[C:23]([CH:32]([F:34])[F:33])=[N:22]2)[CH2:9][C:10]2[CH:11]=[C:12]([F:17])[CH:13]=[C:14]([F:16])[CH:15]=2)=[N:6][C:7]=1[Cl:92]