HRID119271

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID8028

Tetrahydrofuran

C4H8O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID22503261

5-Bromo-2-(3-methoxy-prop-1-ynyl)-pyridine

C9H8BrNO

HCID24208789

5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-b]pyridine

C13H17BN2O2

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

HCID59569594

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f70c3fc825ac4cdd9df4fa24d5a03aca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:19][c:20]1[cH:21][cH:22][c:23]([C:26]#[C:27][CH2:28][O:29][CH3:30])[n:24][cH:25]1.[C:38](=[O:39])([O-:40])[O-:41].[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][c:11]3[c:12]([n:13][cH:14]2)[nH:15][cH:16][cH:17]3)[O:18]1.[CH3:32][CH2:33][O:34][C:35](=[O:36])[CH3:37].[K+:42].[K+:43].[O:44]1[CH2:45][CH2:46][CH2:47][CH2:48]1.[OH2:31].[cH:49]1[cH:50][cH:51][c:52]([P:53]([Pd:54]([P:55]([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)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)([P:74]([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)[P:93]([c:94]2[cH:95][cH:96][cH:97][cH:98][cH:99]2)([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)[cH:124][cH:125]1>>[c:9]1(-[c:20]2[cH:21][cH:22][c:23]([C:26]#[C:27][CH2:28][O:29][CH3:30])[n:24][cH:25]2)[cH:10][c:11]2[c:12]([n:13][cH:14]1)[nH:15][cH:16][cH:17]2