HRID702183

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID45873035

Methyl 5-bromothiophene-3-carboxylate

C6H5BrO2S

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

HCID819151

3-Thiophenecarboxylic acid, 5-phenyl-, methyl ester

C12H10O2S

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2876b086b8104afba16fe7ba1b198d05
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

[C:20](=[O:21])([O-:22])[O-:23].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][s:7][c:8]([Br:10])[cH:9]1.[CH3:26][O:27][CH2:28][CH2:29][O:30][CH3:31].[K+:24].[K+:25].[OH:11][B:12]([OH:13])[c:14]1[cH:15][cH:16][cH:17][cH:18][cH:19]1.[cH:32]1[cH:33][cH:34][c:35]([P:36]([Pd:37]([P:38]([c:39]2[cH:40][cH:41][cH:42][cH:43][cH:44]2)([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)([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([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)[P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([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)([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][s:7][c:8](-[c:14]2[cH:15][cH:16][cH:17][cH:18][cH:19]2)[cH:9]1