HRID433953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

结构：Br.COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3

HCID5464025

Dextromethorphan hydrobromide

C18H26BrNO

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：COc1ccc2c(c1)[C@]13CCCC[C@@H]1[C@H](C2)N(C)CC3.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

HCID16214284

未命名化合物

PROCEDURE

实验过程

The filtrate was evaporated to dryness and the resultant solid (about 12 g) was then dried. The dried solid had a melting point of about 121° C. which compared quite closely to the melting point of 123° C. for pure dextromethorphan-HBr which indicated that the tannic acid had not reacted with the dextromethorphan-HBr. A sample of the dried solid was then subject to FTIR analysis and the spectrum which was obtained was then compared to the FTIR spectrum of pure dextromethorphan HBR. The two spectra were nearly identical. Therefore, it is clear that the dextromethorphan-HBr did not react with the tannic acid to form dextromethorphan tannate and that the dextromethorphan-HBr was present as a mixture with the tannic acid.

WORKUP

后处理

customThe filtrate was evaporated to dryness
dry with materialthe resultant solid (about 12 g) was then dried
customhad not reacted with the dextromethorphan-HBr
customthe spectrum which was obtained

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15f580d076c1430ca7b521563457b5f5
来源数据集: uspto-grants-2003_12
DOI: 10.6084/m9.figshare.5104873.v1
专利: US06670370B1
来源说明: uspto-grants-2003_12

反应 SMILES

[CH3:1][N:2]1[C@H:11]2[CH2:12][C:13]3[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][C:14]=3[C@:5]3([C@@H:10]2[CH2:9][CH2:8][CH2:7][CH2:6]3)[CH2:4][CH2:3]1.Br.[CH:22]1[C:27]([OH:28])=[C:26]([OH:29])[C:25]([OH:30])=[CH:24][C:23]=1[C:31]([O:33][C:34]1[CH:35]=[C:36]([C:42]([O:44][CH2:45][C@H:46]2[O:51][C@@H:50]([O:52][C:53]([C:55]3[CH:56]=[C:57]([OH:74])[C:58]([OH:73])=[C:59]([O:61][C:62]([C:64]4[CH:65]=[C:66]([OH:72])[C:67]([OH:71])=[C:68]([OH:70])[CH:69]=4)=[O:63])[CH:60]=3)=[O:54])[C@H:49]([O:75][C:76]([C:78]3[CH:79]=[C:80]([OH:97])[C:81]([OH:96])=[C:82]([O:84][C:85]([C:87]4[CH:88]=[C:89]([OH:95])[C:90]([OH:94])=[C:91]([OH:93])[CH:92]=4)=[O:86])[CH:83]=3)=[O:77])[C@@H:48]([O:98][C:99]([C:101]3[CH:102]=[C:103]([OH:120])[C:104]([OH:119])=[C:105]([O:107][C:108]([C:110]4[CH:111]=[C:112]([OH:118])[C:113]([OH:117])=[C:114]([OH:116])[CH:115]=4)=[O:109])[CH:106]=3)=[O:100])[C@@H:47]2[O:121][C:122]([C:124]2[CH:125]=[C:126]([OH:143])[C:127]([OH:142])=[C:128]([O:130][C:131]([C:133]3[CH:134]=[C:135]([OH:141])[C:136]([OH:140])=[C:137]([OH:139])[CH:138]=3)=[O:132])[CH:129]=2)=[O:123])=[O:43])[CH:37]=[C:38]([OH:41])[C:39]=1[OH:40])=[O:32]>>[CH3:1][N:2]1[C@H:11]2[CH2:12][C:13]3[CH:18]=[CH:17][C:16]([O:19][CH3:20])=[CH:15][C:14]=3[C@:5]3([C@@H:10]2[CH2:9][CH2:8][CH2:7][CH2:6]3)[CH2:4][CH2:3]1.[CH:22]1[C:27]([OH:28])=[C:26]([OH:29])[C:25]([OH:30])=[CH:24][C:23]=1[C:31]([O:33][C:34]1[C:39]([OH:40])=[C:38]([OH:41])[CH:37]=[C:36]([C:42]([O:44][CH2:45][C@H:46]2[O:51][C@@H:50]([O:52][C:53]([C:55]3[CH:60]=[C:59]([O:61][C:62]([C:64]4[CH:69]=[C:68]([OH:70])[C:67]([OH:71])=[C:66]([OH:72])[CH:65]=4)=[O:63])[C:58]([OH:73])=[C:57]([OH:74])[CH:56]=3)=[O:54])[C@H:49]([O:75][C:76]([C:78]3[CH:83]=[C:82]([O:84][C:85]([C:87]4[CH:92]=[C:91]([OH:93])[C:90]([OH:94])=[C:89]([OH:95])[CH:88]=4)=[O:86])[C:81]([OH:96])=[C:80]([OH:97])[CH:79]=3)=[O:77])[C@@H:48]([O:98][C:99]([C:101]3[CH:106]=[C:105]([O:107][C:108]([C:110]4[CH:111]=[C:112]([OH:118])[C:113]([OH:117])=[C:114]([OH:116])[CH:115]=4)=[O:109])[C:104]([OH:119])=[C:103]([OH:120])[CH:102]=3)=[O:100])[C@@H:47]2[O:121][C:122]([C:124]2[CH:129]=[C:128]([O:130][C:131]([C:133]3[CH:138]=[C:137]([OH:139])[C:136]([OH:140])=[C:135]([OH:141])[CH:134]=3)=[O:132])[C:127]([OH:142])=[C:126]([OH:143])[CH:125]=2)=[O:123])=[O:43])[CH:35]=1)=[O:32]