HRID2125072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

HCID605723

Ethyl 5-bromothiophene-2-carboxylate

C7H7BrO2S

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

HCID2823745

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b631aacde102408aa85fb99dde4e18fd
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[cH:3][cH:4][c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[s:6]1.[Cl:12][c:13]1[cH:14][cH:15][c:16]([B:19]([OH:20])[OH:21])[cH:17][cH:18]1.[Na+:31].[O-:27][C:28]([OH:29])=[O:30].[O:22]=[CH:23][N:24]([CH3:25])[CH3:26].[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>>[c:2]1(-[c:16]2[cH:15][cH:14][c:13]([Cl:12])[cH:18][cH:17]2)[cH:3][cH:4][c:5]([C:7](=[O:8])[O:9][CH2:10][CH3:11])[s:6]1