HRID2338410

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID769

Bicarbonate Ion

CHO3-

HCID923

Sodium ion

Na+

HCID8071

未命名化合物

HCID591073

4-Formylphenylboronic acid

C7H7BO3

HCID9996143

7-CHLORO-2-IODOTHIENO[3,2-B]PYRIDINE-6-CARBONITRILE

C8H2ClIN2S

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

HCID11460745

7-chloro-2-(4-formylphenyl)thieno[3,2-b]pyridine-6-carbonitrile

C15H7ClN2OS

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0b2b2f8a69ef4486b1c3af4037aa932c
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

[C:31](=[O:32])([OH:33])[O-:34].[CH3:25][O:26][CH2:27][CH2:28][O:29][CH3:30].[CH:14](=[O:15])[c:16]1[cH:17][cH:18][c:19]([B:22]([OH:23])[OH:24])[cH:20][cH:21]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[C:8]#[N:9])[cH:10][c:11]([I:13])[s:12]2.[Na+:35].[cH:36]1[cH:37][cH:38][c:39]([P:40]([Pd:41]([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)([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)([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)([c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[c:105]2[cH:106][cH:107][cH:108][cH:109][cH:110]2)[cH:111][cH:112]1>>[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][c:7]1[C:8]#[N:9])[cH:10][c:11](-[c:19]1[cH:18][cH:17][c:16]([CH:14]=[O:15])[cH:21][cH:20]1)[s:12]2