HRID469394

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID11379587

3-piperidin-4-yl-1,3,4,5-tetrahydro-1,3-benzdiazepin-2-one

C14H19N3O

结构：Cc1cc(C(=O)c2cc(Cl)ncn2)cc2oc(=O)n(C)c12

HCID58181162

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(C(=O)c2cc(N3CCC(N4CCc5ccccc5NC4=O)CC3)ncn2)cc2oc(=O)n(C)c12

HCID58181110

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID887

Methanol

CH4O

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

98 mg (0.40 mmol) 3-piperidin-4-yl-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one, 0.12 g (0.40 mmol) 6-(6-chloropyrimidine-4-carbonyl)-3,4-dimethyl-3H-benzoxazol-2-one and 0.14 mL (0.80 mmol) DIPEA were stirred in 3 mL DMF for 2 h at RT. The mixture was diluted with methanol, and the precipitate formed was suction filtered, washed with MeOH and diethyl ether and dried.

WORKUP

后处理

customthe precipitate formed
filtrationfiltered
washwashed with MeOH and diethyl ether
customdried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9eee556de83b418cbf9d23b3ca3114d7
来源数据集: uspto-grants-2014_01
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08629137B2
来源说明: uspto-grants-2014_01

反应 SMILES

[NH:1]1[CH2:6][CH2:5][CH:4]([N:7]2[CH2:13][CH2:12][C:11]3[CH:14]=[CH:15][CH:16]=[CH:17][C:10]=3[NH:9][C:8]2=[O:18])[CH2:3][CH2:2]1.Cl[C:20]1[N:25]=[CH:24][N:23]=[C:22]([C:26]([C:28]2[CH:38]=[C:37]([CH3:39])[C:31]3[N:32]([CH3:36])[C:33](=[O:35])[O:34][C:30]=3[CH:29]=2)=[O:27])[CH:21]=1.CCN(C(C)C)C(C)C>CN(C=O)C.CO>[CH3:36][N:32]1[C:31]2[C:37]([CH3:39])=[CH:38][C:28]([C:26]([C:22]3[N:23]=[CH:24][N:25]=[C:20]([N:1]4[CH2:2][CH2:3][CH:4]([N:7]5[CH2:13][CH2:12][C:11]6[CH:14]=[CH:15][CH:16]=[CH:17][C:10]=6[NH:9][C:8]5=[O:18])[CH2:5][CH2:6]4)[CH:21]=3)=[O:27])=[CH:29][C:30]=2[O:34][C:33]1=[O:35]