HRID2105728

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

结构：O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(OCc3cccc(CBr)c3)cc2)N1c1ccc(F)cc1

HCID21083184

未命名化合物

PRODUCTS

生成物

结构：O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(OCc3cccc(C[N+]45CCN(CC4)CC5)c3)cc2)N1c1ccc(F)cc1.[Br-]

HCID21083147

未命名化合物

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID1140

Toluene

C7H8

PROCEDURE

实验过程

Compound (18) and DABCO were dissolved in toluene and reacted analogously to Example IV, giving the product (19) as a colorless solid of molecular weight 704.66 (C38H40BrF2N3O3); MS (ESI): 624.30 (MH+).

WORKUP

后处理

customreacted analogously to Example IV

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ee36e1c9b0ab42b69ccea9b2af591462
来源数据集: uspto-grants-2009_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07579339B2
来源说明: uspto-grants-2009_08

反应 SMILES

[Br:1][CH2:2][C:3]1[CH:4]=[C:5]([CH:37]=[CH:38][CH:39]=1)[CH2:6][O:7][C:8]1[CH:13]=[CH:12][C:11]([CH:14]2[N:17]([C:18]3[CH:23]=[CH:22][C:21]([F:24])=[CH:20][CH:19]=3)[C:16](=[O:25])[CH:15]2[CH2:26][CH2:27][CH:28]([C:30]2[CH:35]=[CH:34][C:33]([F:36])=[CH:32][CH:31]=2)[OH:29])=[CH:10][CH:9]=1.[CH2:40]1[N:45]2[CH2:46][CH2:47][N:42]([CH2:43][CH2:44]2)[CH2:41]1>C1(C)C=CC=CC=1>[Br-:1].[F:24][C:21]1[CH:20]=[CH:19][C:18]([N:17]2[C:16](=[O:25])[CH:15]([CH2:26][CH2:27][CH:28]([C:30]3[CH:31]=[CH:32][C:33]([F:36])=[CH:34][CH:35]=3)[OH:29])[CH:14]2[C:11]2[CH:12]=[CH:13][C:8]([O:7][CH2:6][C:5]3[CH:4]=[C:3]([CH:39]=[CH:38][CH:37]=3)[CH2:2][N+:42]34[CH2:47][CH2:46][N:45]([CH2:44][CH2:43]3)[CH2:40][CH2:41]4)=[CH:9][CH:10]=2)=[CH:23][CH:22]=1