HRID2349863

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

HCID8071

未命名化合物

HCID11522

Benzene, 1-bromo-4-iodo-

C6H4BrI

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID57539613

未命名化合物

PRODUCTS

生成物

结构：Brc1ccc(-c2ccc3cc(-c4ccccc4)ccc3c2)cc1

HCID57539811

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f5e2fbce3924b40b5afa28e9bbfa134
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

[Br:1][c:2]1[cH:3][cH:4][c:5]([I:8])[cH:6][cH:7]1.[CH2:119]([CH2:120][O:121][CH3:122])[O:123][CH3:124].[CH3:28][c:29]1[cH:30][cH:31][cH:32][cH:33][cH:34]1.[Na+:35].[Na+:36].[O-:37][C:38](=[O:39])[O-:40].[OH2:118].[Pd:41].[c:42]1([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)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:61]1([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)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([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)[cH:94][cH:95][cH:96][cH:97][cH:98]1.[c:99]1([P:100]([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][cH:115][cH:116][cH:117]1.[c:9]1(-[c:15]2[cH:16][c:17]3[cH:18][cH:19][c:20]([B:25]([OH:26])[OH:27])[cH:21][c:22]3[cH:23][cH:24]2)[cH:10][cH:11][cH:12][cH:13][cH:14]1>>[Br:1][c:2]1[cH:3][cH:4][c:5](-[c:20]2[cH:19][cH:18][c:17]3[cH:16][c:15](-[c:9]4[cH:10][cH:11][cH:12][cH:13][cH:14]4)[cH:24][cH:23][c:22]3[cH:21]2)[cH:6][cH:7]1