HRID101980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID66827

Boronic acid, phenyl-

C6H7BO2

结构：COC(=O)c1ccnc(-c2ccc(OS(=O)(=O)C(F)(F)F)c(C#N)c2)c1

HCID86616562

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

结构：COC(=O)c1ccnc(-c2ccc(-c3ccccc3)c(C#N)c2)c1

HCID66995294

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1f0a0c2fc4364831a30096a56c865786
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:43](=[O:44])([O-:45])[O-:46].[C:8](#[N:9])[c:10]1[cH:11][c:12](-[c:24]2[cH:25][c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32][n:33]2)[cH:13][cH:14][c:15]1[O:16][S:17]([C:18]([F:19])([F:20])[F:21])(=[O:22])=[O:23].[CH3:1][c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1.[K+:47].[K+:48].[OH2:126].[OH:34][B:35]([c:36]1[cH:37][cH:38][cH:39][cH:40][cH:41]1)[OH:42].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([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)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[c:2]1(-[c:15]2[c:10]([C:8]#[N:9])[cH:11][c:12](-[c:24]3[cH:25][c:26]([C:27](=[O:28])[O:29][CH3:30])[cH:31][cH:32][n:33]3)[cH:13][cH:14]2)[cH:3][cH:4][cH:5][cH:6][cH:7]1