HRID172643

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID90495

Di-tert-butyl dicarbonate

C10H18O5

HCID173604

3-Bromo-4-fluorobenzaldehyde

C7H4BrFO

结构：CCC[CH2][Sn]([CH2]CCC)([CH2]CCC)[c]1ccco1

HCID4393688

2-(Tributylstannyl)furan

C16H30OSn

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

HCID23497504

4-Fluoro-3-(2-furanyl)benzaldehyde

C11H7FO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c526f8c91a4c4bbfbfc7b90c458216e1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:1][c:2]1[cH:3][c:4]([CH:5]=[O:6])[cH:7][cH:8][c:9]1[F:10].[CH2:11]([Sn:12]([CH2:13][CH2:14][CH2:15][CH3:16])([CH2:17][CH2:18][CH2:19][CH3:20])[c:24]1[o:25][cH:26][cH:27][cH:28]1)[CH2:21][CH2:22][CH3:23].[CH3:29][C:30]([O:31][C:32]([O:33][C:34]([O:35][C:36]([CH3:37])([CH3:38])[CH3:39])=[O:40])=[O:41])([CH3:42])[CH3:43].[CH3:49][CH2:50][O:51][C:52](=[O:53])[CH3:54].[O:44]=[CH:45][N:46]([CH3:47])[CH3:48].[cH:55]1[cH:56][cH:57][c:58]([P:59]([Pd:60]([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)([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)([P:80]([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)[c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[P:99]([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)[c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)([c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[c:124]2[cH:125][cH:126][cH:127][cH:128][cH:129]2)[cH:130][cH:131]1>>[c:2]1(-[c:24]2[o:25][cH:26][cH:27][cH:28]2)[cH:3][c:4]([CH:5]=[O:6])[cH:7][cH:8][c:9]1[F:10]