HRID1553715

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

HCID4338791

N-(2-chloropyridin-3-yl)acetamide

C7H7ClN2O

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

HCID313

Hydrochloric Acid

ClH

HCID15502904

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-dceb8eeeaa7d48eca7a13c0e156b32a3
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

[CH3:27][CH2:28][OH:29].[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][cH:6][c:7]1[NH:8][C:9]([CH3:10])=[O:11].[Na+:21].[Na+:22].[O-:23][C:24](=[O:25])[O-:26].[OH2:114].[OH:12][B:13]([OH:14])[c:15]1[cH:16][cH:17][cH:18][cH:19][cH:20]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>>[ClH:1].[c:2]1(-[c:15]2[cH:16][cH:17][cH:18][cH:19][cH:20]2)[n:3][cH:4][cH:5][cH:6][c:7]1[NH:8][C:9]([CH3:10])=[O:11]