HRID288493

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID283

Formic acid, ion(1-)

CHO2-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID923

Sodium ion

Na+

HCID6342

Acetonitrile

C2H3N

HCID14548343

6-Bromo-7-fluoroquinoline

C9H5BrFN

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

HCID52982909

7-Fluoroquinoline-6-carbaldehyde

C10H6FNO

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a74ee686bc3f4f20a373ff5367b62246
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:5][c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][n:12][c:13]2[cH:14][c:15]1[F:16].[CH3:17][C:18]#[N:19].[CH3:20][S:21]([CH3:22])=[O:23].[CH:1](=[O:2])[O-:3].[Na+:4].[cH:24]1[cH:25][cH:26][c:27]([P:28]([Pd:29]([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)([c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([P:49]([c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)([c:56]2[cH:57][cH:58][cH:59][cH:60][cH:61]2)[c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[P:68]([c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)([c:75]2[cH:76][cH:77][cH:78][cH:79][cH:80]2)[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)[cH:99][cH:100]1>>[CH:1](=[O:3])[c:6]1[cH:7][c:8]2[cH:9][cH:10][cH:11][n:12][c:13]2[cH:14][c:15]1[F:16]