HRID101801

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2758810

ethyl 6-bromopyridine-2-carboxylate

C8H8BrNO2

HCID69312320

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)c1cccc(-c2ccccc2-c2cc(Cl)ccc2OCc2ccccc2)n1

HCID58730986

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-675d874b35224324a90a03685e90ccb2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:25][c:26]1[cH:27][cH:28][cH:29][c:30]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[n:31]1.[C:37](=[O:38])([O-:39])[O-:40].[CH2:120]([OH:121])[CH3:122].[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:6](-[c:8]2[c:9]([B:14]([OH:15])[OH:16])[cH:10][cH:11][cH:12][cH:13]2)[cH:7]1.[K+:41].[K+:42].[c:123]1([CH3:124])[cH:125][cH:126][cH:127][cH:128][cH:129]1.[cH:43]1[cH:44][cH:45][c:46]([P:47]([Pd:48]([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[P:87]([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)[c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)([c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[cH:118][cH:119]1>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([O:17][CH2:18][c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[c:6](-[c:8]2[c:9](-[c:26]3[cH:27][cH:28][cH:29][c:30]([C:32](=[O:33])[O:34][CH2:35][CH3:36])[n:31]3)[cH:10][cH:11][cH:12][cH:13]2)[cH:7]1