HRID120359

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2786748

ETHYL 4,6-DICHLORO-2-METHYLNICOTINATE

C9H9Cl2NO2

HCID18437832

(2,6-Diethylphenyl)boronic acid

C10H15BO2

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(Cl)cc(-c2c(CC)cccc2CC)nc1C

HCID59678345

Ethyl 4-chloro-6-(2,6-diethylphenyl)-2-methyl-3-pyridinecarboxylate

C19H22ClNO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b3b063602bd147979948e280c123bd2c
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

[CH2:15]([CH3:16])[c:17]1[c:18]([B:25]([OH:26])[OH:27])[c:19]([CH2:23][CH3:24])[cH:20][cH:21][cH:22]1.[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6]([CH3:13])[n:7][c:8]([Cl:12])[cH:9][c:10]1[Cl:11])=[O:14].[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[Na+:28].[Na+:29].[O-:30][C:31](=[O:32])[O-:33].[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>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[c:6]([CH3:13])[n:7][c:8](-[c:18]2[c:17]([CH2:15][CH3:16])[cH:22][cH:21][cH:20][c:19]2[CH2:23][CH3:24])[cH:9][c:10]1[Cl:11])=[O:14]