HRID469428

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID18356852

未命名化合物

HCID58181093

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CCN(C1CCN(c3cc(C(=O)c4cc(C)c5c(c4)CCO5)ncn3)CC1)C(=O)N2

HCID25266961

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

催化剂HCID313

Hydrochloric Acid

ClH

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

100 mg (0.363 mmol) 7-methoxy-3-piperidin-4-yl-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one, 90.0 mg (0.229 mmol) (6-chloro-pyrimidin-4-yl)-(7-methyl-2,3-dihydro-benzofuran-5-yl)-methanone and 0.200 mL (1.16 mmol) DIPEA were combined in 1.5 mL DMF and stirred for 48 h at RT. Then the reaction mixture was combined with a few drops of hydrochloric acid and purified by preparative HPLC-MS. The fractions containing the product were combined and freeze-dried.

WORKUP

后处理

custompurified by preparative HPLC-MS
additionThe fractions containing the product
customfreeze-dried

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3d4f831a15874fa9880c202574be0e99
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

[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]2[NH:12][C:11](=[O:13])[N:10]([CH:14]3[CH2:19][CH2:18][NH:17][CH2:16][CH2:15]3)[CH2:9][CH2:8][C:7]=2[CH:20]=1.Cl[C:22]1[N:27]=[CH:26][N:25]=[C:24]([C:28]([C:30]2[CH:31]=[C:32]([CH3:39])[C:33]3[O:37][CH2:36][CH2:35][C:34]=3[CH:38]=2)=[O:29])[CH:23]=1.CCN(C(C)C)C(C)C>CN(C=O)C.Cl>[CH3:1][O:2][C:3]1[CH:4]=[CH:5][C:6]2[NH:12][C:11](=[O:13])[N:10]([CH:14]3[CH2:19][CH2:18][N:17]([C:22]4[CH:23]=[C:24]([C:28]([C:30]5[CH:31]=[C:32]([CH3:39])[C:33]6[O:37][CH2:36][CH2:35][C:34]=6[CH:38]=5)=[O:29])[N:25]=[CH:26][N:27]=4)[CH2:16][CH2:15]3)[CH2:9][CH2:8][C:7]=2[CH:20]=1