HRID2241844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID712

Formaldehyde

CH2O

HCID65578

Ethanedioyl dichloride

C2Cl2O2

结构：C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C

HCID221493

Cholic acid

C24H40O5

结构：C[C@H](CCC(=O)O)[C@H]1CC[C@H]2[C@@H]3C(OC=O)CC4CC(OC=O)CC[C@]4(C)[C@H]3CC(OC=O)[C@]12C

HCID86628349

未命名化合物

PRODUCTS

生成物

结构：C[C@H](CCC(=O)Cl)[C@H]1CC[C@H]2[C@@H]3C(OC=O)CC4CC(OC=O)CC[C@]4(C)[C@H]3CC(OC=O)[C@]12C

HCID87433271

未命名化合物

PROCEDURE

实验过程

By a standard technique using cholic acid and formalin, 3,7,12-triformyloxycholanoic acid was synthesized. It was then chlorinated using oxalyl chloride. The crude product thus obtained was used in the subsequent step of esterification without purification.

WORKUP

后处理

customwas synthesized

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-51e728a84fe84d01ab2b2eb6a72be817
来源数据集: uspto-grants-2010_03
DOI: 10.6084/m9.figshare.5104873.v1
专利: US07670751B2
来源说明: uspto-grants-2010_03

反应 SMILES

C[C@@H]([C@@H]1[C@@]2(C)[C@@H](O)C[C@@H]3[C@@]4(C)CC[C@@H](O)C[C@H]4C[C@@H](O)[C@H]3[C@@H]2CC1)CCC(O)=O.C=O.[CH:32]([O:34][CH:35]1[CH2:58][CH2:57][C@@:56]2([CH3:59])[CH:37]([CH2:38][CH:39]([O:64][CH:65]=[O:66])[C@@H:40]3[C@@H:55]2[CH2:54][CH:53]([O:60][CH:61]=[O:62])[C@@:52]2([CH3:63])[C@H:41]3[CH2:42][CH2:43][C@@H:44]2[C@H:45]([CH3:51])[CH2:46][CH2:47][C:48](O)=[O:49])[CH2:36]1)=[O:33].C(Cl)(=O)C([Cl:70])=O>>[CH:32]([O:34][CH:35]1[CH2:58][CH2:57][C@@:56]2([CH3:59])[CH:37]([CH2:38][CH:39]([O:64][CH:65]=[O:66])[C@@H:40]3[C@@H:55]2[CH2:54][CH:53]([O:60][CH:61]=[O:62])[C@@:52]2([CH3:63])[C@H:41]3[CH2:42][CH2:43][C@@H:44]2[C@H:45]([CH3:51])[CH2:46][CH2:47][C:48]([Cl:70])=[O:49])[CH2:36]1)=[O:33]