HRID1800847

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)O)c3F)s2)c1

HCID59200397

未命名化合物

2 次

结构：Cc1cc(C2(CN)CCN(C(=O)OC(C)(C)C)CC2)no1

HCID59321378

未命名化合物

PRODUCTS

生成物

结构：Cc1ccnc(Nc2ncc(Sc3ccnc(C(=O)NCC4(c5cc(C)on5)CCN(C(=O)OC(C)(C)C)CC4)c3F)s2)c1

HCID59321417

未命名化合物

PROCEDURE

实验过程

Following the amide bond forming procedure given in example 37, 3-fluoro-4-(2-(4-methylpyridin-2-ylamino)thiazol-5-ylthio)picolinic acid (intermediate B in example 1) and tert-butyl 4-(aminomethyl)-4-(5-methylisoxazol-3-yl)piperidine-1-carboxylate (amine intermediate “S”) were reacted to give the title compound. LC/MS (M+H)+: 640. Ret. time: 1.89 min. (Condition L).

WORKUP

后处理

customforming procedure
customwere reacted

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-95b4f1c7d00c4fba98dc42ce62ae0bc9
来源数据集: uspto-grants-2013_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08343999B2
来源说明: uspto-grants-2013_01

反应 SMILES

[F:1][C:2]1[C:3]([C:22]([OH:24])=O)=[N:4][CH:5]=[CH:6][C:7]=1[S:8][C:9]1[S:13][C:12]([NH:14][C:15]2[CH:20]=[C:19]([CH3:21])[CH:18]=[CH:17][N:16]=2)=[N:11][CH:10]=1.[NH2:25][CH2:26][C:27]1([C:40]2[CH:44]=[C:43]([CH3:45])[O:42][N:41]=2)[CH2:32][CH2:31][N:30]([C:33]([O:35][C:36]([CH3:39])([CH3:38])[CH3:37])=[O:34])[CH2:29][CH2:28]1>>[F:1][C:2]1[C:3]([C:22]([NH:25][CH2:26][C:27]2([C:40]3[CH:44]=[C:43]([CH3:45])[O:42][N:41]=3)[CH2:32][CH2:31][N:30]([C:33]([O:35][C:36]([CH3:39])([CH3:38])[CH3:37])=[O:34])[CH2:29][CH2:28]2)=[O:24])=[N:4][CH:5]=[CH:6][C:7]=1[S:8][C:9]1[S:13][C:12]([NH:14][C:15]2[CH:20]=[C:19]([CH3:21])[CH:18]=[CH:17][N:16]=2)=[N:11][CH:10]=1