HRID618932

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID10898

2-Bromo-1-ethanol

C2H5BrO

结构：O=C(Nc1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I)Nc1c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c1I

HCID21844915

未命名化合物

PRODUCTS

生成物

结构：O=C(NCCO)c1c(I)c(NC(=O)N(CCO)c2c(I)c(C(=O)NCCO)c(I)c(C(=O)NCC(O)CO)c2I)c(I)c(C(=O)NCC(O)CO)c1I

HCID86754528

未命名化合物

收率 47%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID962

Water

H2O

溶剂HCID14798

Sodium Hydroxide

HNaO

PROCEDURE

实验过程

N,N'-Bis[2,4,6-triiodo-3-(2-hydroxyethylaminocarbonyl)-5-(2,3-dihydroxypropylaminocarbonyl)-phenyl]urea (0.216 g, 0.157 mmol) was dissolved in a mixture of water (6 ml) and 2M aqueous NaOH (0.9 ml) together with 2-bromoethanol (0.067 ml). The mixture was stirred for 20 h, neutralized with a strongly acidic cation exchange resin and evaporated to dryness. Purification using preparative HPLC gave 105 mg (47%) of the product as a white solid.

WORKUP

后处理

customevaporated to dryness
customPurification

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f9b62841e35045deb7319f8ab8abb397
来源数据集: uspto-grants-1999_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05958375
来源说明: uspto-grants-1999_09

反应 SMILES

[I:1][C:2]1[C:7]([C:8]([NH:10][CH2:11][CH2:12][OH:13])=[O:9])=[C:6]([I:14])[C:5]([C:15]([NH:17][CH2:18][CH:19]([OH:22])[CH2:20][OH:21])=[O:16])=[C:4]([I:23])[C:3]=1[NH:24][C:25]([NH:27][C:28]1[C:33]([I:34])=[C:32]([C:35]([NH:37][CH2:38][CH:39]([OH:42])[CH2:40][OH:41])=[O:36])[C:31]([I:43])=[C:30]([C:44]([NH:46][CH2:47][CH2:48][OH:49])=[O:45])[C:29]=1[I:50])=[O:26].Br[CH2:52][CH2:53][OH:54]>O.[OH-].[Na+]>[I:1][C:2]1[C:7]([C:8]([NH:10][CH2:11][CH2:12][OH:13])=[O:9])=[C:6]([I:14])[C:5]([C:15]([NH:17][CH2:18][CH:19]([OH:22])[CH2:20][OH:21])=[O:16])=[C:4]([I:23])[C:3]=1[N:24]([CH2:52][CH2:53][OH:54])[C:25]([NH:27][C:28]1[C:33]([I:34])=[C:32]([C:35]([NH:37][CH2:38][CH:39]([OH:42])[CH2:40][OH:41])=[O:36])[C:31]([I:43])=[C:30]([C:44]([NH:46][CH2:47][CH2:48][OH:49])=[O:45])[C:29]=1[I:50])=[O:26]