HRID195499

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID2734334

2,4-Difluorophenylboronic acid

C6H5BF2O2

HCID57732452

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(-c2ccc(F)cc2F)n2c1c(C)nc1ccc(F)cc12

HCID42629232

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f3a833cd339a4f9f85572d18849cb5af
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4]([CH3:17])[c:5]2[n:6]1[c:7]1[cH:8][c:9]([F:16])[cH:10][cH:11][c:12]1[n:13][c:14]2[CH3:15].[F:18][c:19]1[c:20]([B:26]([OH:27])[OH:28])[cH:21][cH:22][c:23]([F:25])[cH:24]1.[K+:29].[K+:30].[O-:31][C:32]([O-:33])=[O:34].[cH:35]1[cH:36][cH:37][c:38]([P:39]([Pd:40]([P:41]([c:42]2[cH:43][cH:44][cH:45][cH:46][cH:47]2)([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)([P:60]([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)([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)[P:79]([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)([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)[cH:110][cH:111]1>>[c:2]1(-[c:20]2[c:19]([F:18])[cH:24][c:23]([F:25])[cH:22][cH:21]2)[n:3][c:4]([CH3:17])[c:5]2[n:6]1[c:7]1[cH:8][c:9]([F:16])[cH:10][cH:11][c:12]1[n:13][c:14]2[CH3:15]