HRID2273589

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID2153

Theophylline

C7H8N4O2

HCID3301

Ethylenediamine

C2H8N2

结构：Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN

HCID9433

1,2-Ethanediamine, compd. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:2)

C16H24N10O4

2 次

结构：O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1

HCID16129778

Chinese gallotannin

C76H52O46

PRODUCTS

生成物

结构：Cn1c(=O)c2[nH]cnc2n(C)c1=O.Cn1c(=O)c2[nH]cnc2n(C)c1=O.NCCN.O=C(OC[C@H]1O[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H](OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)[C@@H]1OC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1

HCID131733387

未命名化合物

PROCEDURE

实验过程

Aminophylline, a bronchodilator drug combination that contains the alkaloid theophylline, and ethylenediamine in 2:1 ratio, was selected as a model alkaloid for use in the preparation of the present compositions exhibiting diversion- and/or abuse-resistant properties. 100 ml of 2.4% wt. aminophylline aqueous solution was mixed with predetermined volumes of 13% wt. tannic acid aqueous solution and 20% wt. PEG aqueous solution to yield an aminophylline/tannic acid/PEG weight ratio of about 1.0:1.0:7.0.

WORKUP

后处理

customwas selected as a model alkaloid for use in the preparation of the present compositions exhibiting diversion- and/or abuse-resistant properties

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f1e9b6ece3a04387af893a59b3798dc9
来源数据集: uspto-grants-2015_09
DOI: 10.6084/m9.figshare.5104873.v1
专利: US09125867B2
来源说明: uspto-grants-2015_09

反应 SMILES

[CH3:1][N:2]1[C:11](=[O:12])[N:10]([CH3:13])[C:8](=[O:9])[C:4]2[NH:5][CH:6]=[N:7][C:3]1=2.[CH3:14][N:15]1[C:24](=[O:25])[N:23]([CH3:26])[C:21](=[O:22])[C:17]2[NH:18][CH:19]=[N:20][C:16]1=2.[CH2:27]([NH2:30])[CH2:28][NH2:29].N1(C(=O)C2NC=NC=2N(C)C1=O)C.C(N)CN.[CH:48]1[C:53]([OH:54])=[C:52]([OH:55])[C:51]([OH:56])=[CH:50][C:49]=1[C:57]([O:59][C:60]1[CH:61]=[C:62]([C:68]([O:70][CH2:71][C@H:72]2[O:77][C@@H:76]([O:78][C:79]([C:81]3[CH:82]=[C:83]([OH:100])[C:84]([OH:99])=[C:85]([O:87][C:88]([C:90]4[CH:91]=[C:92]([OH:98])[C:93]([OH:97])=[C:94]([OH:96])[CH:95]=4)=[O:89])[CH:86]=3)=[O:80])[C@H:75]([O:101][C:102]([C:104]3[CH:105]=[C:106]([OH:123])[C:107]([OH:122])=[C:108]([O:110][C:111]([C:113]4[CH:114]=[C:115]([OH:121])[C:116]([OH:120])=[C:117]([OH:119])[CH:118]=4)=[O:112])[CH:109]=3)=[O:103])[C@@H:74]([O:124][C:125]([C:127]3[CH:128]=[C:129]([OH:146])[C:130]([OH:145])=[C:131]([O:133][C:134]([C:136]4[CH:137]=[C:138]([OH:144])[C:139]([OH:143])=[C:140]([OH:142])[CH:141]=4)=[O:135])[CH:132]=3)=[O:126])[C@@H:73]2[O:147][C:148]([C:150]2[CH:151]=[C:152]([OH:169])[C:153]([OH:168])=[C:154]([O:156][C:157]([C:159]3[CH:160]=[C:161]([OH:167])[C:162]([OH:166])=[C:163]([OH:165])[CH:164]=3)=[O:158])[CH:155]=2)=[O:149])=[O:69])[CH:63]=[C:64]([OH:67])[C:65]=1[OH:66])=[O:58]>>[CH3:1][N:2]1[C:11](=[O:12])[N:10]([CH3:13])[C:8](=[O:9])[C:4]2[NH:5][CH:6]=[N:7][C:3]1=2.[CH3:14][N:15]1[C:24](=[O:25])[N:23]([CH3:26])[C:21](=[O:22])[C:17]2[NH:18][CH:19]=[N:20][C:16]1=2.[CH2:27]([NH2:30])[CH2:28][NH2:29].[CH:48]1[C:53]([OH:54])=[C:52]([OH:55])[C:51]([OH:56])=[CH:50][C:49]=1[C:57]([O:59][C:60]1[CH:61]=[C:62]([C:68]([O:70][CH2:71][C@H:72]2[O:77][C@@H:76]([O:78][C:79]([C:81]3[CH:82]=[C:83]([OH:100])[C:84]([OH:99])=[C:85]([O:87][C:88]([C:90]4[CH:91]=[C:92]([OH:98])[C:93]([OH:97])=[C:94]([OH:96])[CH:95]=4)=[O:89])[CH:86]=3)=[O:80])[C@H:75]([O:101][C:102]([C:104]3[CH:105]=[C:106]([OH:123])[C:107]([OH:122])=[C:108]([O:110][C:111]([C:113]4[CH:114]=[C:115]([OH:121])[C:116]([OH:120])=[C:117]([OH:119])[CH:118]=4)=[O:112])[CH:109]=3)=[O:103])[C@@H:74]([O:124][C:125]([C:127]3[CH:128]=[C:129]([OH:146])[C:130]([OH:145])=[C:131]([O:133][C:134]([C:136]4[CH:141]=[C:140]([OH:142])[C:139]([OH:143])=[C:138]([OH:144])[CH:137]=4)=[O:135])[CH:132]=3)=[O:126])[C@@H:73]2[O:147][C:148]([C:150]2[CH:151]=[C:152]([OH:169])[C:153]([OH:168])=[C:154]([O:156][C:157]([C:159]3[CH:160]=[C:161]([OH:167])[C:162]([OH:166])=[C:163]([OH:165])[CH:164]=3)=[O:158])[CH:155]=2)=[O:149])=[O:69])[CH:63]=[C:64]([OH:67])[C:65]=1[OH:66])=[O:58]