HRID1558333

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID44754822

(5-Chloro-2-fluoropyridin-4-yl)boronic acid

C5H4BClFNO2

HCID83073097

未命名化合物

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

结构：N#Cc1cc(NCc2cccc(F)c2)nc(-c2cc(F)ncc2Cl)c1

HCID66936967

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-7d3396a6f9554bb88dd7452befafae6c
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[C:30](=[O:31])([O-:32])[O-:33].[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[CH3:42][CH2:43][O:44][C:45]([CH3:46])=[O:47].[Cl:19][c:20]1[c:21]([B:27]([OH:28])[OH:29])[cH:22][c:23]([F:26])[n:24][cH:25]1.[Cl:1][c:2]1[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([NH:10][CH2:11][c:12]2[cH:13][c:14]([F:18])[cH:15][cH:16][cH:17]2)[n:9]1.[Na+:34].[Na+:35].[cH:48]1[cH:49][cH:50][c:51]([P:52]([Pd:53]([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)([c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[c:67]2[cH:68][cH:69][cH:70][cH:71][cH:72]2)([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)([c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[c:86]2[cH:87][cH:88][cH:89][cH:90][cH:91]2)[P:92]([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)([c:111]2[cH:112][cH:113][cH:114][cH:115][cH:116]2)[c:117]2[cH:118][cH:119][cH:120][cH:121][cH:122]2)[cH:123][cH:124]1>>[c:2]1(-[c:21]2[c:20]([Cl:19])[cH:25][n:24][c:23]([F:26])[cH:22]2)[cH:3][c:4]([C:5]#[N:6])[cH:7][c:8]([NH:10][CH2:11][c:12]2[cH:13][c:14]([F:18])[cH:15][cH:16][cH:17]2)[n:9]1