HRID953898

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID702

Ethanol

C2H6O

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

3 次

HCID6344

Dichloromethane

CH2Cl2

HCID19660

Carbonate

CO3-2

HCID23978

Copper

HCID79599

4-Bromophenylboric acid

C6H6BBrO2

HCID57975348

未命名化合物

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1c(-c2ccc(Br)cc2)c(C#N)c(CC)n1C

HCID16037629

Ethyl 3-(4-bromophenyl)-4-cyano-5-ethyl-1-methyl-1H-pyrrole-2-carboxylate

C17H17BrN2O2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9922bc5a76cc494097ac51f96f718be1
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[Br:17][c:18]1[cH:19][cH:20][c:21]([B:24]([OH:25])[OH:26])[cH:22][cH:23]1.[C:27](=[O:28])([O-:29])[O-:30].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH3:16])[c:8]([CH2:14][CH3:15])[c:9]([C:12]#[N:13])[c:10]1[I:11].[CH2:39]([Cl:40])[Cl:41].[CH3:120][CH2:121][OH:122].[ClH:33].[Cu:119].[Na+:31].[Na+:32].[Na+:38].[O-:34][C:35]([OH:36])=[O:37].[cH:42]1[cH:43][cH:44][c:45]([P:46]([Pd:47]([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)([c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[cH:117][cH:118]1>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7]([CH3:16])[c:8]([CH2:14][CH3:15])[c:9]([C:12]#[N:13])[c:10]1-[c:21]1[cH:20][cH:19][c:18]([Br:17])[cH:23][cH:22]1