HRID2403175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：N#CC1(NC(=O)[C@@H]2C[C@@H](S(=O)(=O)c3ccccc3Cl)CN2)CC1

HCID46946413

未命名化合物

结构：Cc1nsc(N2CCC(N3CCC3C(=O)[O-])CC2)n1.[Li+]

HCID86692763

未命名化合物

PRODUCTS

生成物

结构：Cc1nsc(N2CCC(N3CCC3C(=O)N3C[C@H](S(=O)(=O)c4ccccc4Cl)C[C@H]3C(=O)NC3(C#N)CC3)CC2)n1.O=CO

HCID86692762

未命名化合物

PROCEDURE

实验过程

The reaction of (2S,4R)-4-(2-chlorophenylsulfonyl)-N-(1-cyanocyclopropyl)pyrrolidine-2-carboxamide 7H and lithium 1-(1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl)azetidine-2-carboxylate 20D carried out according to the general procedure L yielded (2S,4R)-4-(2-chlorophenylsulfonyl)-N-(1-cyanocyclopropyl)-1-(1-(1-(3-methyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl)azetidine-2-carbonyl)pyrrolidine-2-carboxamide formate 1:1 epimers as a white solid (73%). MS ISP (m/e): 618.3 (100) [(M+H)]]+.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b0a1b3c8b41342d8ada71bd3d281a05e
来源数据集: uspto-grants-2014_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08802665B2
来源说明: uspto-grants-2014_08

反应 SMILES

[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[S:8]([C@H:11]1[CH2:15][NH:14][C@H:13]([C:16]([NH:18][C:19]2([C:22]#[N:23])[CH2:21][CH2:20]2)=[O:17])[CH2:12]1)(=[O:10])=[O:9].[CH3:24][C:25]1[N:29]=[C:28]([N:30]2[CH2:35][CH2:34][CH:33]([N:36]3[CH2:39][CH2:38][CH:37]3[C:40]([O-:42])=[O:41])[CH2:32][CH2:31]2)[S:27][N:26]=1.[Li+]>>[CH:40]([OH:42])=[O:41].[Cl:1][C:2]1[CH:7]=[CH:6][CH:5]=[CH:4][C:3]=1[S:8]([C@H:11]1[CH2:15][N:14]([C:40]([CH:37]2[CH2:38][CH2:39][N:36]2[CH:33]2[CH2:32][CH2:31][N:30]([C:28]3[S:27][N:26]=[C:25]([CH3:24])[N:29]=3)[CH2:35][CH2:34]2)=[O:41])[C@H:13]([C:16]([NH:18][C:19]2([C:22]#[N:23])[CH2:21][CH2:20]2)=[O:17])[CH2:12]1)(=[O:10])=[O:9]