HRID205208

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID19660

Carbonate

CO3-2

HCID285645

4-Fluorophenylboronic acid

C6H6BFO2

反应SMILES：CCc1ccc(OS(=O)(=O)C(F)(F)F)c(C(=O)OC)c1

HCID60206812

Benzoic acid, 5-ethyl-2-[[(trifluoromethyl)sulfonyl]oxy]-, methyl ester

C11H11F3O5S

反应SMILES：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

产物

反应SMILES：CCc1ccc(-c2ccc(F)cc2)c(C(=O)OC)c1

HCID68537012

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-a1490c3bf7684a8eb19b7b8733d35268
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应SMILES

[C:31](=[O:32])([O-:33])[O-:34].[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([O:13][S:14]([C:15]([F:16])([F:17])[F:18])(=[O:19])=[O:20])[c:7]([C:8](=[O:9])[O:10][CH3:11])[cH:12]1.[CH3:37][c:38]1[cH:39][cH:40][cH:41][cH:42][cH:43]1.[CH3:44][CH2:45][OH:46].[CH3:47][CH2:48][O:49][CH2:50][CH3:51].[Na+:35].[Na+:36].[OH2:52].[OH:21][B:22]([OH:23])[c:24]1[cH:25][cH:26][c:27]([F:28])[cH:29][cH:30]1.[cH:53]1[cH:54][cH:55][c:56]([P:57]([Pd:58]([P:59]([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)[c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([P:78]([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[P:97]([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)([c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[c:122]2[cH:123][cH:124][cH:125][cH:126][cH:127]2)[cH:128][cH:129]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6](-[c:24]2[cH:25][cH:26][c:27]([F:28])[cH:29][cH:30]2)[c:7]([C:8](=[O:9])[O:10][CH3:11])[cH:12]1