HRID2105726

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID9237

1,4-Diazabicyclo[2.2.2]octane

C6H12N2

结构：O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(OCc3ccccc3CBr)cc2)N1c1ccc(F)cc1

HCID21083183

未命名化合物

PRODUCTS

生成物

结构：O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(OCc3ccc(C[N+]45CCN(CC4)CC5)cc3)cc2)N1c1ccc(F)cc1.[Br-]

HCID21083157

未命名化合物

PROCEDURE

实验过程

Compound (15) and DABCO were dissolved in toluene and reacted analogously to Example IV, giving the product (16) 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-d928edec20974a69b4e4271393c36d63
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]C[C:3]1[CH:39]=[CH:38][CH:37]=[CH:36][C:4]=1[CH2:5][O:6][C:7]1[CH:12]=[CH:11][C:10]([CH:13]2[N:16]([C:17]3[CH:22]=[CH:21][C:20]([F:23])=[CH:19][CH:18]=3)[C:15](=[O:24])[CH:14]2[CH2:25][CH2:26][CH:27]([C:29]2[CH:34]=[CH:33][C:32]([F:35])=[CH:31][CH:30]=2)[OH:28])=[CH:9][CH:8]=1.[CH2:40]1[N:45]2[CH2:46][CH2:47][N:42]([CH2:43][CH2:44]2)[CH2:41]1.[C:48]1(C)C=CC=CC=1>>[Br-:1].[F:23][C:20]1[CH:19]=[CH:18][C:17]([N:16]2[C:15](=[O:24])[CH:14]([CH2:25][CH2:26][CH:27]([C:29]3[CH:34]=[CH:33][C:32]([F:35])=[CH:31][CH:30]=3)[OH:28])[CH:13]2[C:10]2[CH:9]=[CH:8][C:7]([O:6][CH2:5][C:4]3[CH:36]=[CH:37][C:38]([CH2:48][N+:42]45[CH2:47][CH2:46][N:45]([CH2:44][CH2:43]4)[CH2:40][CH2:41]5)=[CH:39][CH:3]=3)=[CH:12][CH:11]=2)=[CH:22][CH:21]=1