HRID1563253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID2734386

4-(Trifluoromethoxy)phenylboronic acid

C7H6BF3O3

HCID7006651

5-Bromo-2-iodopyrimidine

C4H2BrIN2

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

HCID57479280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7e59f58a3af041569cdeeec045f1b154
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:1][c:2]1[cH:3][n:4][c:5]([I:8])[n:6][cH:7]1.[CH3:30][c:31]1[cH:32][cH:33][cH:34][cH:35][cH:36]1.[F:9][C:10]([O:11][c:12]1[cH:13][cH:14][c:15]([B:18]([OH:19])[OH:20])[cH:16][cH:17]1)([F:21])[F:22].[Na+:23].[Na+:24].[O-:25][C:26](=[O:27])[O-:28].[OH2:29].[cH:37]1[cH:38][cH:39][c:40]([P:41]([Pd:42]([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)([c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[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)[cH:112][cH:113]1>>[Br:1][c:2]1[cH:3][n:4][c:5](-[c:15]2[cH:14][cH:13][c:12]([O:11][C:10]([F:9])([F:21])[F:22])[cH:17][cH:16]2)[n:6][cH:7]1