HRID2155945

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

结构：COC(=O)c1ccc(OC)cc1OS(=O)(=O)C(F)(F)F

HCID10710352

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：COC(=O)c1ccc(OC)cc1-c1ccc(C(F)(F)F)cc1

HCID53840489

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-96a82b249a694c79946d25ae59633276
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

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