HRID179049

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8857

Ethyl acetate

C4H8O2

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1cncn1C

HCID10915651

1-Methyl-5-(tributylstannyl)-1H-imidazole

C16H32N2Sn

HCID58861442

未命名化合物

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：CCOC(=O)c1ccc(C)c(-n2cc(-c3cncn3C)cn2)c1

HCID58861280

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d7eafe5e251a45f494430950f68e16d8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][c:7](-[n:12]2[n:13][cH:14][c:15]([Br:17])[cH:16]2)[c:8]([CH3:11])[cH:9][cH:10]1)=[O:18].[CH3:19][n:20]1[cH:21][n:22][cH:23][c:24]1[Sn:25]([CH2:26][CH2:27][CH2:28][CH3:29])([CH2:30][CH2:31][CH2:32][CH3:33])[CH2:34][CH2:35][CH2:36][CH3:37].[CH3:46][CH2:47][O:48][C:49]([CH3:50])=[O:51].[F-:38].[K+:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[cH:52]1[cH:53][cH:54][c:55]([P:56]([Pd:57]([P:58]([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[c:71]2[cH:72][cH:73][cH:74][cH:75][cH:76]2)([P:77]([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)([c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[P:96]([c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[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)[cH:127][cH:128]1>>[CH2:1]([CH3:2])[O:3][C:4]([c:5]1[cH:6][c:7](-[n:12]2[n:13][cH:14][c:15](-[c:24]3[n:20]([CH3:19])[cH:21][n:22][cH:23]3)[cH:16]2)[c:8]([CH3:11])[cH:9][cH:10]1)=[O:18]