HRID2334976

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

HCID23090718

Ethyl 3-ethoxy-4-iodobenzoate

C11H13IO3

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)c1ccc(-c2ccc(C(F)(F)F)cc2)c(OCC)c1

HCID68458497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6eff013f291949188a8334b548c67152
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][c:7]([O:12][CH2:13][CH3:14])[c:8]([I:11])[cH:9][cH:10]1)=[O:15].[F:16][C:17]([c:18]1[cH:19][cH:20][c:21]([B:24]([OH:25])[OH:26])[cH:22][cH:23]1)([F:27])[F:28].[K+:34].[K+:35].[K+:36].[O:114]=[CH:115][N:116]([CH3:117])[CH3:118].[P:29]([O-:30])([O-:31])([O-:32])=[O:33].[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([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)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([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)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([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)[cH:112][cH:113]1>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][c:7]([O:12][CH2:13][CH3:14])[c:8](-[c:21]2[cH:20][cH:19][c:18]([C:17]([F:16])([F:27])[F:28])[cH:23][cH:22]2)[cH:9][cH:10]1)=[O:15]