HRID2322175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID28179

Fluoride

F-

HCID31275

1,4-Dioxane

C4H8O2

HCID69258

Benzoic acid, 3-iodo-, methyl ester

C8H7IO2

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccccc1C1=NC(C)(C)CO1

HCID18945295

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1cccc(-c2ccccc2C2=NC(C)(C)CO2)c1

HCID18945305

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-d28e808875c14243b30c73768161124e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:1]([Sn:2]([CH2:3][CH2:4][CH2:5][CH3:19])([c:6]1[c:7]([C:12]2=[N:16][C:15]([CH3:17])([CH3:18])[CH2:14][O:13]2)[cH:8][cH:9][cH:10][cH:11]1)[CH2:20][CH2:21][CH2:22][CH3:23])[CH2:24][CH2:25][CH3:26].[F-:38].[I:27][c:28]1[cH:29][c:30]([C:31](=[O:32])[O:33][CH3:34])[cH:35][cH:36][cH:37]1.[K+:39].[O:40]1[CH2:41][CH2:42][O:43][CH2:44][CH2:45]1.[Pd:46].[c:104]1([P:105]([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)[cH:118][cH:119][cH:120][cH:121][cH:122]1.[c:47]1([P:48]([c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[cH:61][cH:62][cH:63][cH:64][cH:65]1.[c:66]1([P:67]([c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[cH:80][cH:81][cH:82][cH:83][cH:84]1.[c:85]1([P:86]([c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[cH:99][cH:100][cH:101][cH:102][cH:103]1>>[c:6]1(-[c:28]2[cH:29][c:30]([C:31](=[O:32])[O:33][CH3:34])[cH:35][cH:36][cH:37]2)[c:7]([C:12]2=[N:16][C:15]([CH3:17])([CH3:18])[CH2:14][O:13]2)[cH:8][cH:9][cH:10][cH:11]1