HRID283500

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID31275

1,4-Dioxane

C4H8O2

HCID2737788

4-(Benzyloxy)-3-fluorophenylboronic acid

C13H12BFO3

HCID66310404

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：O=c1c(-c2ccc(OCc3ccccc3)c(F)c2)cncn1Cc1ccc(Cl)cc1

HCID68513874

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-99fe99e76056460aade34479031534f6
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

[CH2:17]([c:18]1[cH:19][cH:20][cH:21][cH:22][cH:23]1)[O:24][c:25]1[c:26]([F:34])[cH:27][c:28]([B:31]([OH:32])[OH:33])[cH:29][cH:30]1.[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cl-:35].[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[cH:8][n:9][cH:10][c:11]([Br:14])[c:12]2=[O:13])[cH:15][cH:16]1.[Li+:36].[Na+:37].[Na+:38].[O-:39][C:40](=[O:41])[O-:42].[O:127]1[CH2:128][CH2:129][O:130][CH2:131][CH2:132]1.[OH2:126].[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>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][n:7]2[cH:8][n:9][cH:10][c:11](-[c:28]3[cH:27][c:26]([F:34])[c:25]([O:24][CH2:17][c:18]4[cH:19][cH:20][cH:21][cH:22][cH:23]4)[cH:30][cH:29]3)[c:12]2=[O:13])[cH:15][cH:16]1