HRID1558695

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

2 次

HCID23938

Palladium

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID104967

Cesium(1+)

Cs+

2 次

HCID11078356

Methyl 5-bromo-2-iodobenzoate

C8H6BrIO2

PRODUCTS

生成物

HCID68536269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c8d9ef363ba44922874818224119ca40
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([I:12])[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1.[C:22](=[O:23])([O-:24])[O-:25].[C:28](=[O:29])([O-:30])[O-:31].[Cs+:32].[Cs+:33].[K+:26].[K+:27].[O:34]=[CH:35][N:36]([CH3:37])[CH3:38].[OH:13][B:14]([OH:15])[c:16]1[cH:17][cH:18][cH:19][cH:20][cH:21]1.[Pd:115].[c:39]1([P:40]([c:41]2[cH:42][cH:43][cH:44][cH:45][cH:46]2)[c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)[cH:53][cH:54][cH:55][cH:56][cH:57]1.[c:58]1([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)[cH:72][cH:73][cH:74][cH:75][cH:76]1.[c:77]1([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)[cH:91][cH:92][cH:93][cH:94][cH:95]1.[c:96]1([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)[cH:110][cH:111][cH:112][cH:113][cH:114]1>>[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:16]2[cH:17][cH:18][cH:19][cH:20][cH:21]2)[c:6]([C:7](=[O:8])[O:9][CH3:10])[cH:11]1