HRID100841

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 Ion

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID56973315

5-Bromo-2-(trifluoromethyl)pyridine-4-carbonitrile

C7H2BrF3N2

HCID68472835

未命名化合物

HCID178420554

未命名化合物

PRODUCTS

产物

HCID59410240

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-30355a7d350d411b9d0c8ac6a54ea4c3
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:42][c:43]1[cH:44][n:45][c:46]([C:51]([F:52])([F:53])[F:54])[cH:47][c:48]1[C:49]#[N:50].[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH2:9][O:10][c:11]1[c:12]([S:27](=[O:28])(=[O:29])[N:30]2[c:31]3[c:32]([cH:37][cH:38][cH:39][cH:40]3)[CH2:33][CH2:34][CH2:35][CH2:36]2)[cH:13][c:14]([CH:18]2[O:19][C:20]([CH3:21])([CH3:22])[C:23]([CH3:24])([CH3:25])[O:26]2)[c:15]([Cl:17])[cH:16]1)=[O:41].[K+:55].[K+:56].[O-:57][C:58]([O-:59])=[O:60].[O:61]1[CH2:62][CH2:63][O:64][CH2:65][CH2:66]1.[OH2:67].[cH:68]1[cH:69][cH:70][c:71]([P:72]([Pd:73]([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)[P:112]([c:113]2[cH:114][cH:115][cH:116][cH:117][cH:118]2)([c:119]2[cH:120][cH:121][cH:122][cH:123][cH:124]2)[c:125]2[cH:126][cH:127][cH:128][cH:129][cH:130]2)([c:131]2[cH:132][cH:133][cH:134][cH:135][cH:136]2)[c:137]2[cH:138][cH:139][cH:140][cH:141][cH:142]2)[cH:143][cH:144]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([CH2:7][CH2:8][CH2:9][O:10][c:11]1[c:12]([S:27](=[O:28])(=[O:29])[N:30]2[c:31]3[c:32]([cH:37][cH:38][cH:39][cH:40]3)[CH2:33][CH2:34][CH2:35][CH2:36]2)[cH:13][c:14](-[c:43]2[cH:44][n:45][c:46]([C:51]([F:52])([F:53])[F:54])[cH:47][c:48]2[C:49]#[N:50])[c:15]([Cl:17])[cH:16]1)=[O:41]