HRID1668157

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID75771

1-Hydroxybenzotriazole

C6H5N3O

HCID2723939

1,3-Propanediamine, N'-(ethylcarbonimidoyl)-N,N-dimethyl-, monohydrochloride

C8H18ClN3

HCID57441039

未命名化合物

结构：Cc1ccc(N)cc1Oc1ccc2nc(NC(=O)C3CC3)cn2n1

HCID57505483

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc(NC(=O)c2cccc(C3(C#N)CC3)c2)cc1Oc1ccc2nc(NC(=O)C3CC3)cn2n1

HCID57505699

未命名化合物

收率 78.6%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

Using N-[6-(5-amino-2-methylphenoxy)imidazo[1,2-b]pyridazin-2-yl]cyclopropanecarboxamide (150 mg, 0.46 mmol), 3-(1-cyanocyclopropyl)benzoic acid (91 mg, 0.49 mmol), N-[3-(dimethylamino)propyl]-N′-ethylcarbodiimide hydrochloride (94 mg, 0.49 mmol), 1-hydroxybenzotriazole (66 mg, 0.49 mmol) and N,N-dimethylformamide (7.0 mL) as starting materials and in the same manner as in Example 318, the title compound (178 mg, 75%) was obtained as a white powder.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-48b587412bb5413cade75ccfc093dbd1
来源数据集: uspto-grants-2011_10
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08044049B2
来源说明: uspto-grants-2011_10

反应 SMILES

[NH2:1][C:2]1[CH:3]=[CH:4][C:5]([CH3:24])=[C:6]([CH:23]=1)[O:7][C:8]1[CH:9]=[CH:10][C:11]2[N:12]([CH:14]=[C:15]([NH:17][C:18]([CH:20]3[CH2:22][CH2:21]3)=[O:19])[N:16]=2)[N:13]=1.[C:25]([C:27]1([C:30]2[CH:31]=[C:32]([CH:36]=[CH:37][CH:38]=2)[C:33](O)=[O:34])[CH2:29][CH2:28]1)#[N:26].Cl.CN(C)CCCN=C=NCC.ON1C2C=CC=CC=2N=N1>CN(C)C=O>[C:25]([C:27]1([C:30]2[CH:31]=[C:32]([CH:36]=[CH:37][CH:38]=2)[C:33]([NH:1][C:2]2[CH:3]=[CH:4][C:5]([CH3:24])=[C:6]([O:7][C:8]3[CH:9]=[CH:10][C:11]4[N:12]([CH:14]=[C:15]([NH:17][C:18]([CH:20]5[CH2:22][CH2:21]5)=[O:19])[N:16]=4)[N:13]=3)[CH:23]=2)=[O:34])[CH2:28][CH2:29]1)#[N:26]