HRID1144733

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID2734378

3-Pyridinylboronic acid

C5H6BNO2

HCID10691461

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：COc1nc2cc(Cl)c(Cl)c(-c3cccnc3)c2nc1OC

HCID22614913

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46a835b26d6a4f8a962c3ae7985a1eb7
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[C:27](=[O:28])([O-:29])[O-:30].[CH2:33]1[O:34][CH2:35][CH2:36][O:37][CH2:38]1.[Cl:1][c:2]1[c:3]([I:17])[c:4]2[n:5][c:6]([O:15][CH3:16])[c:7]([O:13][CH3:14])[n:8][c:9]2[cH:10][c:11]1[Cl:12].[K+:31].[K+:32].[OH2:39].[cH:40]1[cH:41][cH:42][c:43]([P:44]([Pd:45]([P:46]([c:47]2[cH:48][cH:49][cH:50][cH:51][cH:52]2)([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)([P:65]([c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)[c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[P:84]([c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)([c:91]2[cH:92][cH:93][cH:94][cH:95][cH:96]2)[c:97]2[cH:98][cH:99][cH:100][cH:101][cH:102]2)([c:103]2[cH:104][cH:105][cH:106][cH:107][cH:108]2)[c:109]2[cH:110][cH:111][cH:112][cH:113][cH:114]2)[cH:115][cH:116]1.[n:18]1[cH:19][c:20]([B:24]([OH:25])[OH:26])[cH:21][cH:22][cH:23]1>>[Cl:1][c:2]1[c:3](-[c:20]2[cH:19][n:18][cH:23][cH:22][cH:21]2)[c:4]2[n:5][c:6]([O:15][CH3:16])[c:7]([O:13][CH3:14])[n:8][c:9]2[cH:10][c:11]1[Cl:12]