HRID1846546

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

反应SMILES：COc1ccc2c(c1)CCN(C1CCNCC1)C(=O)N2

HCID18356852

未命名化合物

反应SMILES：COCc1nc2c(C)cc(Oc3cc(Cl)ncn3)cc2[nH]1

HCID86663913

未命名化合物

PRODUCTS

产物

反应SMILES：COCc1nc2c(C)cc(Oc3cc(N4CCC(N5CCc6cc(OC)ccc6NC5=O)CC4)ncn3)cc2[nH]1

HCID46244758

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

Dimethylformamide

C3H7NO

PROCEDURE

实验过程

52 mg (0.19 mmol) 7-methoxy-3-piperidin-4-yl-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one, 50 mg (0.16 mmol) 6-(6-chloropyrimidin-4-yloxy)-2-(methoxymethyl)-4-methyl-1H-benzo[d]imidazole and 0.07 mL (0.40 mmol) DIPEA in 2.0 mL DMF were stirred at RT over the weekend. The reaction mixture was purified by preparative HPLC-MS. The fractions containing product were partially evaporated down i.vac. and neutralised with 4M sodium hydroxide solution. The precipitate formed was suction filtered, washed and dried.

WORKUP

后处理

customThe reaction mixture was purified by preparative HPLC-MS
additionThe fractions containing product
customwere partially evaporated down i.vac
customThe precipitate formed
filtrationfiltered
washwashed
customdried

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-37a638ea44d546bcbd21aab6574c4caa
来源数据集: uspto-grants-2015_02
DOI: 10.6084/m9.figshare.5104873.v1
专利号: US08952014B2
来源说明: uspto-grants-2015_02

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]([O:28][C:29]2[CH:30]=[C:31]([CH3:41])[C:32]3[N:36]=[C:35]([CH2:37][O:38][CH3:39])[NH:34][C:33]=3[CH:40]=2)[CH:23]=1.CCN(C(C)C)C(C)C>CN(C=O)C>[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]([O:28][C:29]5[CH:30]=[C:31]([CH3:41])[C:32]6[N:36]=[C:35]([CH2:37][O:38][CH3:39])[NH:34][C:33]=6[CH:40]=5)[N:25]=[CH:26][N:27]=4)[CH2:16][CH2:15]3)[CH2:9][CH2:8][C:7]=2[CH:20]=1