HRID183218

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

3 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID78412

Phenyl dihydrogen orthoborate

C6H7BO3

HCID12090304

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

HCID12090303

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2ed4400de0c64ab8a5c1ef23b229f4e2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH2:5][NH:6][C:7]([O:8][CH:9]([CH3:10])[CH3:11])=[O:12])[cH:13][cH:14][cH:15]1.[CH3:114][c:115]1[cH:116][cH:117][cH:118][cH:119][cH:120]1.[CH3:34][CH2:35][OH:36].[Cl-:33].[Na+:16].[Na+:17].[Na+:32].[O-:18][C:19](=[O:20])[O-:21].[c:22]1([O:28][B:29]([OH:30])[OH:31])[cH:23][cH:24][cH:25][cH:26][cH:27]1.[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>>[c:2]1(-[c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[cH:3][c:4]([CH2:5][NH:6][C:7]([O:8][CH:9]([CH3:10])[CH3:11])=[O:12])[cH:13][cH:14][cH:15]1