HRID292474

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID19660

Carbonate Ion

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID56973315

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

C7H2BrF3N2

HCID68469242

未命名化合物

HCID178420554

未命名化合物

PRODUCTS

产物

HCID25155100

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-68bc72dbf6ae48c294b114487e6661a6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应SMILES

[Br:38][c:39]1[cH:40][n:41][c:42]([C:47]([F:48])([F:49])[F:50])[cH:43][c:44]1[C:45]#[N:46].[C:51](=[O:52])([O-:53])[O-:54].[Cl:1][c:2]1[c:3]([B:29]2[O:30][C:31]([CH3:32])([CH3:33])[C:34]([CH3:35])([CH3:36])[O:37]2)[cH:4][c:5]([S:14](=[O:15])(=[O:16])[N:17]2[CH2:18][CH2:19][C:20]([CH3:27])([CH3:28])[c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]32)[c:6]([O:7][CH2:8][CH2:9][CH2:10][CH2:11][OH:12])[cH:13]1.[Na+:55].[Na+:56].[O:57]1[CH2:58][CH2:59][O:60][CH2:61][CH2:62]1.[OH2:63].[cH:64]1[cH:65][cH:66][c:67]([P:68]([Pd:69]([P:70]([c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)[c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)([P:89]([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[P:108]([c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)([c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[c:121]2[cH:122][cH:123][cH:124][cH:125][cH:126]2)([c:127]2[cH:128][cH:129][cH:130][cH:131][cH:132]2)[c:133]2[cH:134][cH:135][cH:136][cH:137][cH:138]2)[cH:139][cH:140]1>>[Cl:1][c:2]1[c:3](-[c:39]2[cH:40][n:41][c:42]([C:47]([F:48])([F:49])[F:50])[cH:43][c:44]2[C:45]#[N:46])[cH:4][c:5]([S:14](=[O:15])(=[O:16])[N:17]2[CH2:18][CH2:19][C:20]([CH3:27])([CH3:28])[c:21]3[cH:22][cH:23][cH:24][cH:25][c:26]32)[c:6]([O:7][CH2:8][CH2:9][CH2:10][CH2:11][OH:12])[cH:13]1