HRID469426

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID81531

Diisopropylethylamine

C8H19N

HCID18356852

未命名化合物

结构：Cn1c(=O)oc2cc(C(=O)c3cc(Cl)ncn3)cc(Cn3cccn3)c21

HCID58181215

未命名化合物

PRODUCTS

生成物

结构：COc1ccc2c(c1)CCN(C1CCN(c3cc(C(=O)c4cc(Cn5cccn5)c5c(c4)oc(=O)n5C)ncn3)CC1)C(=O)N2

HCID25266622

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID6228

N,N-Dimethylformamide

C3H7NO

PROCEDURE

实验过程

140 mg (0.508 mmol) 7-methoxy-3-piperidin-4-yl-1,3,4,5-tetrahydro-1,3-benzodiazepin-2-one, 210 mg (0.284 mmol) 6-(6-chloro-pyrimidine-4-carbonyl)-3-methyl-4-pyrazol-1-ylmethyl-3H-benzoxazol-2-one and 0.100 mL (0.581 mmol) DIPEA were combined in 1.0 mL DMF and stirred for 48 h at RT. Then the reaction mixture was purified several times by preparative HPLC-MS. The fractions containing the product were combined and freeze-dried.

WORKUP

后处理

customThen the reaction mixture was purified several times 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-0ce944430cfc49f4ad46d624d42f11d2
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:40]=[C:39]([CH2:41][N:42]3[CH:46]=[CH:45][CH:44]=[N:43]3)[C:33]3[N:34]([CH3:38])[C:35](=[O:37])[O:36][C:32]=3[CH:31]=2)=[O:29])[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]([C:28]([C:30]5[CH:40]=[C:39]([CH2:41][N:42]6[CH:46]=[CH:45][CH:44]=[N:43]6)[C:33]6[N:34]([CH3:38])[C:35](=[O:37])[O:36][C:32]=6[CH:31]=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