HRID163590

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID260

Hydrogen Bromide

BrH

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2734369

[4-(Methoxycarbonyl)phenyl]boronic acid

C8H9BO4

HCID67391230

未命名化合物

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

HCID57583987

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-71b7a7ebf72c47528156adc8cfc18785
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:2][c:3]1[cH:4][n:5]([CH3:10])[cH:6][cH:7][c:8]1=[O:9].[BrH:1].[CH3:11][O:12][C:13](=[O:14])[c:15]1[cH:16][cH:17][c:18]([B:21]([OH:22])[OH:23])[cH:19][cH:20]1.[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[Na+:24].[Na+:25].[O-:26][C:27](=[O:28])[O-:29].[OH2:37].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([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)[c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)([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)[c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[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)[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)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114]1>>[c:3]1(-[c:18]2[cH:17][cH:16][c:15]([C:13]([O:12][CH3:11])=[O:14])[cH:20][cH:19]2)[cH:4][n:5]([CH3:10])[cH:6][cH:7][c:8]1=[O:9]