HRID1562337

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID31275

1,4-Dioxane

C4H8O2

HCID71237773

未命名化合物

结构：CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1B1OC(C)(C)C(C)(C)O1

HCID86676270

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(OCOCC[Si](C)(C)C)c(F)cc1-c1ccc2c(C#N)nn(C3CCCCO3)c2c1

HCID86676269

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-272b011a426d4cb1ad5512b386a94163
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

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