HRID406999

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9740

Cyanoacetic acid

C3H3NO2

结构：Cl.O=C(NCC(F)(F)F)Nc1cccc(-n2cnc3cc(-c4cnn(C5CCNCC5)c4)ccc32)c1

HCID67980207

未命名化合物

PRODUCTS

生成物

结构：N#CCC(=O)N1CCC(n2cc(-c3ccc4c(c3)ncn4-c3cccc(NC(=O)NCC(F)(F)F)c3)cn2)CC1

HCID57387426

未命名化合物

PROCEDURE

实验过程

This compound was prepared by using procedures analogous to those described for the synthesis of Example 1 (Step 6) starting from N-{3-[5-(1-piperidin-4-yl-1H-pyrazol-4-yl)-1H-benzimidazol-1-yl]phenyl}-N′-(2,2,2-trifluoroethyl)urea HCl salt and cyanoacetic acid, (Aldrich, Cat. No. C88505), LCMS (M+H)+: m/z=551.2.

WORKUP

后处理

customThis compound was prepared
customthose described for the synthesis of Example 1 (Step 6)

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-cf220721c28349a9aa8b9d65ccdb28aa
来源数据集: uspto-grants-2014_06
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08754114B2
来源说明: uspto-grants-2014_06

反应 SMILES

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