HRID2258399

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6227

Bromoacetic acid

C2H3BrO2

结构：CCC(Cc1c(I)cc(I)c(NC(=O)CCCCCNC(=O)CN2CCNCCNCCNCC2)c1I)C(=O)O

HCID22921393

未命名化合物

PRODUCTS

生成物

结构：CCC(Cc1c(I)cc(I)c(NC(=O)CCCCCNC(=O)CN2CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC2)c1I)C(=O)O

HCID10820341

未命名化合物

收率 96.7%

AUXILIARIES

试剂、催化剂与溶剂

溶剂HCID702

Ethanol

C2H6O

PROCEDURE

实验过程

According to the procedure described in Example 2, 111 g of compound (A) α-ethyl-2,4,6-triiodo-3-[[1-oxo-6-[(1,4,7,10-tetraazacyclododec-1-yl-acetyl)amino]hexyl]amino]benzenepropanoic acid (0.12 mol) are reacted with 67.2 g of bromoacetic acid (0.48 mol) in 600 ml of 80% EtOH. 63 g of α-ethyl-2,4,6-triiodo-3-[[1-oxo-6-[[4,7,10-tris(carboxymethyl)-1,4,7,10-tetraazacyclododec-1-ylacetyl]amino]hexyl]amino]benzenepropanoic acid (0.058 mol) are obtained.

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2abe461f539c4104a39f140281856df9
来源数据集: uspto-grants-1997_08
DOI: 10.6084/m9.figshare.5104873.v1
专利: US05660814
来源说明: uspto-grants-1997_08

反应 SMILES

[CH2:1]([CH:3]([CH2:7][C:8]1[C:13]([I:14])=[CH:12][C:11]([I:15])=[C:10]([NH:16][C:17](=[O:39])[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][NH:23][C:24](=[O:38])[CH2:25][N:26]2[CH2:37][CH2:36][NH:35][CH2:34][CH2:33][NH:32][CH2:31][CH2:30][NH:29][CH2:28][CH2:27]2)[C:9]=1[I:40])[C:4]([OH:6])=[O:5])[CH3:2].Br[CH2:42][C:43]([OH:45])=[O:44]>CCO>[CH2:1]([CH:3]([CH2:7][C:8]1[C:13]([I:14])=[CH:12][C:11]([I:15])=[C:10]([NH:16][C:17](=[O:39])[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22][NH:23][C:24](=[O:38])[CH2:25][N:26]2[CH2:27][CH2:28][N:29]([CH2:42][C:43]([OH:45])=[O:44])[CH2:30][CH2:31][N:32]([CH2:42][C:43]([OH:45])=[O:44])[CH2:33][CH2:34][N:35]([CH2:3][C:4]([OH:6])=[O:5])[CH2:36][CH2:37]2)[C:9]=1[I:40])[C:4]([OH:6])=[O:5])[CH3:2]