HRID139371

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID17750229

(2-Chloro-4-fluorophenyl)boronic acid

C6H5BClFO2

HCID66924763

未命名化合物

PRODUCTS

生成物

HCID58488518

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cbbe708cdca4bee870a39ec5ea95707
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[c:3]([CH3:11])[c:4]([C:7](=[O:8])[O:9][CH3:10])[cH:5][nH:6]1.[C:23](=[O:24])([O-:25])[O-:26].[CH3:37][CH2:38][O:39][C:40](=[O:41])[CH3:42].[Cl:12][c:13]1[c:14]([B:20]([OH:21])[OH:22])[cH:15][cH:16][c:17]([F:19])[cH:18]1.[Na+:27].[Na+:28].[OH2:29].[Pd:119].[c:100]1([P:101]([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)[cH:114][cH:115][cH:116][cH:117][cH:118]1.[c:30]1([CH3:31])[cH:32][cH:33][cH:34][cH:35][cH:36]1.[c:43]1([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)[c:51]2[cH:52][cH:53][cH:54][cH:55][cH:56]2)[cH:57][cH:58][cH:59][cH:60][cH:61]1.[c:62]1([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)[cH:76][cH:77][cH:78][cH:79][cH:80]1.[c:81]1([P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[cH:95][cH:96][cH:97][cH:98][cH:99]1>>[c:2]1(-[c:14]2[c:13]([Cl:12])[cH:18][c:17]([F:19])[cH:16][cH:15]2)[c:3]([CH3:11])[c:4]([C:7](=[O:8])[O:9][CH3:10])[cH:5][nH:6]1