HRID2320766

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

HCID10659573

未命名化合物

HCID16218401

(4-Cyano-2-methylphenyl)boronic acid

C8H8BNO2

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

HCID67253668

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-371893b054ba4f7e9e982060ca2c0614
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[Br:1][c:2]1[cH:3][s:4][cH:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]1.[C:15](#[N:16])[c:17]1[cH:18][c:19]([CH3:26])[c:20]([B:23]([OH:24])[OH:25])[cH:21][cH:22]1.[CH3:33][c:34]1[cH:35][cH:36][cH:37][cH:38][cH:39]1.[CH3:40][CH2:41][OH:42].[Na+:27].[Na+:28].[O-:29][C:30](=[O:31])[O-:32].[OH2:43].[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>>[c:2]1(-[c:20]2[c:19]([CH3:26])[cH:18][c:17]([C:15]#[N:16])[cH:22][cH:21]2)[cH:3][s:4][cH:5][c:6]1-[c:7]1[cH:8][cH:9][c:10]([O:13][CH3:14])[cH:11][cH:12]1