HRID1209630

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2794651

4-BROMO-1-METHYL-3-(TRIFLUOROMETHYL)-1H-PYRAZOLE

C5H4BrF3N2

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

结构：COc1ccc(F)c(Cl)c1C(C)c1c[nH]c2ncc(B3OC(C)(C)C(C)(C)O3)cc12

HCID178491821

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(F)c(Cl)c1C(C)c1c[nH]c2ncc(-c3cn(C)nc3C(F)(F)F)cc12

HCID76167947

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4db826e8303240c1846c6afd1ba69df8
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:31][c:32]1[c:33]([C:38]([F:39])([F:40])[F:41])[n:34][n:35]([CH3:37])[cH:36]1.[Cl:1][c:2]1[c:3]([CH:11]([CH3:12])[c:13]2[cH:14][nH:15][c:16]3[n:17][cH:18][c:19]([B:22]4[O:23][C:24]([CH3:25])([CH3:26])[C:27]([CH3:28])([CH3:29])[O:30]4)[cH:20][c:21]23)[c:4]([O:9][CH3:10])[cH:5][cH:6][c:7]1[F:8].[K+:42].[K+:43].[O-:44][C:45]([O-:46])=[O:47].[O:126]1[CH2:127][CH2:128][O:129][CH2:130][CH2:131]1.[OH2:48].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[P:93]([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)([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125]1>>[Cl:1][c:2]1[c:3]([CH:11]([CH3:12])[c:13]2[cH:14][nH:15][c:16]3[n:17][cH:18][c:19](-[c:32]4[c:33]([C:38]([F:39])([F:40])[F:41])[n:34][n:35]([CH3:37])[cH:36]4)[cH:20][c:21]23)[c:4]([O:9][CH3:10])[cH:5][cH:6][c:7]1[F:8]