HRID1229893

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID2734389

4-(Trifluoromethyl)phenylboronic acid

C7H6BF3O2

HCID136350283

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：Cc1nc(-c2cnn(C)c2-c2ccc(C(F)(F)F)cc2)c2c(=O)[nH]cnn12

HCID136350284

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-fe0950a86d9240d3acdf4d6378bd1ce1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[Br:1][c:2]1[c:3](-[c:8]2[n:9][c:10]([CH3:18])[n:11]3[n:12][cH:13][nH:14][c:15](=[O:17])[c:16]23)[cH:4][n:5][n:6]1[CH3:7].[CH3:38][CH2:39][OH:40].[F:19][C:20]([c:21]1[cH:22][cH:23][c:24]([B:27]([OH:28])[OH:29])[cH:25][cH:26]1)([F:30])[F:31].[Na+:32].[Na+:33].[O-:34][C:35](=[O:36])[O-:37].[cH:41]1[cH:42][cH:43][c:44]([P:45]([Pd:46]([P:47]([c:48]2[cH:49][cH:50][cH:51][cH:52][cH:53]2)([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)[c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)([P:66]([c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)[c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[P:85]([c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)[c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)([c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)[c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[cH:116][cH:117]1>>[c:2]1(-[c:24]2[cH:23][cH:22][c:21]([C:20]([F:19])([F:30])[F:31])[cH:26][cH:25]2)[c:3](-[c:8]2[n:9][c:10]([CH3:18])[n:11]3[n:12][cH:13][nH:14][c:15](=[O:17])[c:16]23)[cH:4][n:5][n:6]1[CH3:7]