HRID886156

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Clc1ccccc1-n1ncnc1-n1cc2c(n1)-c1cc(Br)ccc1OCC2

HCID58204386

未命名化合物

结构：CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-n2nc(-c4ncnn4CC(F)(F)F)cc2CCO3)CC1

HCID58204746

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)N1CC=C(c2ccc3c(c2)-c2nn(-c4ncnn4-c4ccccc4Cl)cc2CCO3)CC1

HCID58204892

未命名化合物

收率 80%

PROCEDURE

实验过程

4-{2-[2-(2-Chloro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-2H-6-oxa-1,2-diaza-benzo[e]azulen-9-yl}-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester was prepared similarly to 4-{2-[2-(2,2,2-trifluoro-ethyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-6-oxa-1,10b-diaza-benzo[e]azulen-9-yl}-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester from 9-bromo-2-[2-(2-chloro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-2H-6-oxa-1,2-diaza-benzo[e]azulene (500 mg, 1.13 mmol) to give 4-{2-[2-(2-Chloro-phenyl)-2H-[1,2,4]triazol-3-yl]-4,5-dihydro-2H-6-oxa-1,2-diaza-benzo[e]azulen-9-yl}-3,6-dihydro-2H-pyridine-1-carboxylic acid tert-butyl ester as a colourless gum (490 mg, 80%). LCMS RT=5.14 min, M+Na+=567

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-417c775e589246fd8ed572b931f455c3
来源数据集: uspto-grants-2012_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US08242104B2
来源说明: uspto-grants-2012_08

反应 SMILES

[C:1]([O:5][C:6]([N:8]1[CH2:13][CH:12]=[C:11]([C:14]2[CH:15]=[CH:16][C:17]3[O:26][CH2:25][CH2:24]C4N(N=C(C5N(CC(F)(F)F)N=CN=5)C=4)[C:18]=3[CH:37]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:3])[CH3:2].BrC1C=CC2OCC[C:48]3[C:44](=[N:45][N:46]([C:52]4[N:53]([C:57]5[CH:62]=[CH:61][CH:60]=[CH:59][C:58]=5[Cl:63])[N:54]=[CH:55][N:56]=4)[CH:47]=3)C=2C=1>>[C:1]([O:5][C:6]([N:8]1[CH2:13][CH:12]=[C:11]([C:14]2[CH:15]=[CH:16][C:17]3[O:26][CH2:25][CH2:24][C:48]4[C:44](=[N:45][N:46]([C:52]5[N:53]([C:57]6[CH:62]=[CH:61][CH:60]=[CH:59][C:58]=6[Cl:63])[N:54]=[CH:55][N:56]=5)[CH:47]=4)[C:18]=3[CH:37]=2)[CH2:10][CH2:9]1)=[O:7])([CH3:4])([CH3:2])[CH3:3]