HRID2322844

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID201262

Benzeneboronic acid, p-methoxy-

C7H9BO3

结构：CC(=O)Nc1cccc(-c2cc(C#N)cc3ncn(-c4ccccc4)c23)c1

HCID11245099

未命名化合物

HCID67485627

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：COc1ccc(-c2cc(C#N)cc3ncn(-c4ccccc4)c23)cc1

HCID11278797

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-801f2c5faddd445cb8b0dccbd5d82e4f
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

[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:6]([n:7](-[c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[cH:8][n:9]2)[c:16]([I:18])[cH:17]1.[C:30](=[O:31])([O-:32])[O-:33].[C:36]([NH:37][c:38]1[cH:39][c:40](-[c:41]2[c:42]3[n:43](-[c:44]4[cH:45][cH:46][cH:47][cH:48][cH:49]4)[cH:50][n:51][c:52]3[cH:53][c:54]([C:55]#[N:56])[cH:57]2)[cH:58][cH:59][cH:60]1)(=[O:61])[CH3:62].[CH3:140][CH2:141][OH:142].[CH3:143][c:144]1[cH:145][cH:146][cH:147][cH:148][cH:149]1.[CH3:19][O:20][c:21]1[cH:22][cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1.[K+:34].[K+:35].[cH:63]1[cH:64][cH:65][c:66]([P:67]([Pd:68]([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)[P:107]([c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)([c:126]2[cH:127][cH:128][cH:129][cH:130][cH:131]2)[c:132]2[cH:133][cH:134][cH:135][cH:136][cH:137]2)[cH:138][cH:139]1>>[C:1](#[N:2])[c:3]1[cH:4][c:5]2[c:6]([n:7](-[c:10]3[cH:11][cH:12][cH:13][cH:14][cH:15]3)[cH:8][n:9]2)[c:16](-[c:24]2[cH:23][cH:22][c:21]([O:20][CH3:19])[cH:26][cH:25]2)[cH:17]1