HRID1558063

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID2734369

[4-(Methoxycarbonyl)phenyl]boronic acid

C8H9BO4

HCID53485670

3-Bromonaphthalene-1-carbonitrile

C11H6BrN

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)c1ccc(-c2cc(C#N)c3ccccc3c2)cc1

HCID67309309

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5b859ab9e2784aebb50b45268701f032
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

[Br:14][c:15]1[cH:16][c:17]([C:25]#[N:26])[c:18]2[cH:19][cH:20][cH:21][cH:22][c:23]2[cH:24]1.[C:27](=[O:28])([O-:29])[O-:30].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([B:11]([OH:12])[OH:13])[cH:9][cH:10]1.[CH3:33][N:34]([CH3:35])[CH:36]=[O:37].[Cs+:31].[Cs+:32].[OH2:115].[cH:38]1[cH:39][cH:40][c:41]([P:42]([Pd:43]([P:44]([c:45]2[cH:46][cH:47][cH:48][cH:49][cH:50]2)([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)([P:63]([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)([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)[P:82]([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([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)[cH:113][cH:114]1>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8](-[c:15]2[cH:16][c:17]([C:25]#[N:26])[c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]3[cH:24]2)[cH:9][cH:10]1