HRID813476

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID2734390

3,4,5-Trimethoxyphenylboronic acid

C9H13BO5

HCID2762942

ethyl 2-chloroisonicotinate

C8H8ClNO2

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)c1ccnc(-c2cc(OC)c(OC)c(OC)c2)c1

HCID16125879

Ethyl 2-(3,4,5-trimethoxyphenyl)pyridine-4-carboxylate

C17H19NO5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-31a121968f8f4535b5c7093ee5970beb
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH2:124]1[O:125][CH2:126][CH2:127][CH2:128]1.[CH3:118][CH2:119][O:120][C:121](=[O:122])[CH3:123].[CH3:1][O:2][c:3]1[cH:4][c:5]([B:13]([OH:14])[OH:15])[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Cl:16][c:17]1[cH:18][c:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:25][cH:26][n:27]1.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[CH3:1][O:2][c:3]1[cH:4][c:5](-[c:17]2[cH:18][c:19]([C:20](=[O:21])[O:22][CH2:23][CH3:24])[cH:25][cH:26][n:27]2)[cH:6][c:7]([O:11][CH3:12])[c:8]1[O:9][CH3:10]