HRID150682

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID79613

Pyridine, 2-chloro-3-nitro-

C5H3ClN2O2

HCID44119555

(4,4-Dimethylcyclohex-1-en-1-yl)boronic acid

C8H15BO2

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

HCID68505119

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-50157cf933134f7684757303be842977
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

[C:22](=[O:23])([O-:24])[O-:25].[CH3:1][C:2]1([CH3:11])[CH2:3][CH:4]=[C:5]([B:8]([OH:9])[OH:10])[CH2:6][CH2:7]1.[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[CH3:35][CH2:36][OH:37].[CH3:38][CH2:39][O:40][C:41]([CH3:42])=[O:43].[Cl:12][c:13]1[n:14][cH:15][cH:16][cH:17][c:18]1[N+:19](=[O:20])[O-:21].[Na+:26].[Na+:27].[cH:44]1[cH:45][cH:46][c:47]([P:48]([Pd:49]([P:50]([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)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([P:69]([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)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[P:88]([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)[c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)[cH:119][cH:120]1>>[CH3:1][C:2]1([CH3:11])[CH2:3][CH:4]=[C:5]([c:13]2[n:14][cH:15][cH:16][cH:17][c:18]2[N+:19](=[O:20])[O-:21])[CH2:6][CH2:7]1