HRID2217734

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(OCc3ccc(-c4ccc(CBr)cc4)cc3)cc2)N1c1ccc(F)cc1

HCID21083191

未命名化合物

PRODUCTS

生成物

结构：O=C1C(CCC(O)c2ccc(F)cc2)C(c2ccc(OCc3ccc(-c4ccc(C[N+]56CCN(CC5)CC6)cc4)cc3)cc2)N1c1ccc(F)cc1.[Br-]

HCID21083159

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 (21) and DABCO were dissolved in toluene and reacted analogously to Example IV, giving the product (22) as a colorless solid of molecular weight 780.76 (C44H44BrF2N3O3); MS (ESI): 700.3 (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-4eb397d7a6da402285e6c3ab9897071f
来源数据集: uspto-grants-2008_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07407938B2
来源说明: uspto-grants-2008_08

反应 SMILES

[Br:1][CH2:2][C:3]1[CH:8]=[CH:7][C:6]([C:9]2[CH:14]=[CH:13][C:12]([CH2:15][O:16][C:17]3[CH:22]=[CH:21][C:20]([CH:23]4[N:26]([C:27]5[CH:32]=[CH:31][C:30]([F:33])=[CH:29][CH:28]=5)[C:25](=[O:34])[CH:24]4[CH2:35][CH2:36][CH:37]([C:39]4[CH:44]=[CH:43][C:42]([F:45])=[CH:41][CH:40]=4)[OH:38])=[CH:19][CH:18]=3)=[CH:11][CH:10]=2)=[CH:5][CH:4]=1.[CH2:46]1[N:51]2[CH2:52][CH2:53][N:48]([CH2:49][CH2:50]2)[CH2:47]1>C1(C)C=CC=CC=1>[Br-:1].[F:33][C:30]1[CH:31]=[CH:32][C:27]([N:26]2[C:25](=[O:34])[CH:24]([CH2:35][CH2:36][CH:37]([C:39]3[CH:44]=[CH:43][C:42]([F:45])=[CH:41][CH:40]=3)[OH:38])[CH:23]2[C:20]2[CH:21]=[CH:22][C:17]([O:16][CH2:15][C:12]3[CH:13]=[CH:14][C:9]([C:6]4[CH:5]=[CH:4][C:3]([CH2:2][N+:48]56[CH2:53][CH2:52][N:51]([CH2:50][CH2:49]5)[CH2:46][CH2:47]6)=[CH:8][CH:7]=4)=[CH:10][CH:11]=3)=[CH:18][CH:19]=2)=[CH:28][CH:29]=1