HRID118830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID2778700

2,4,6-tribromo-3,5-difluoropyridine

C5Br3F2N

结构：CC1(C)OB(c2cc([N+](=O)[O-])ccc2F)OC1(C)C

HCID3833297

2-(2-Fluoro-5-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C12H15BFNO4

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：O=[N+]([O-])c1ccc(F)c(-c2nc(Br)c(F)c(Br)c2F)c1

HCID22285274

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a1862b7353494984a1ae9b0327bc1a06
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:1][c:2]1[n:3][c:4]([Br:11])[c:5]([F:10])[c:6]([Br:9])[c:7]1[F:8].[F:12][c:13]1[c:14]([B:22]2[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]2)[cH:15][c:16]([N+:19](=[O:20])[O-:21])[cH:17][cH:18]1.[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[O:114]1[CH2:115][CH2:116][CH2:117][CH2:118]1.[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>>[c:2]1(-[c:14]2[c:13]([F:12])[cH:18][cH:17][c:16]([N+:19](=[O:20])[O-:21])[cH:15]2)[n:3][c:4]([Br:11])[c:5]([F:10])[c:6]([Br:9])[c:7]1[F:8]