HRID190617

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID583322

2,6-Dimethylphenylboronic acid

C8H11BO2

HCID57531406

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：COc1nc(-c2c(C)cccc2C)nc(C)c1COc1cc(C(C)C)ccc1C

HCID57531497

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-809f666971db40bfa2b2f47ed9753594
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH3:23][c:24]1[c:25]([B:31]([OH:32])[OH:33])[c:26]([CH3:30])[cH:27][cH:28][cH:29]1.[Cl:1][c:2]1[n:3][c:4]([CH3:22])[c:5]([CH2:10][O:11][c:12]2[c:13]([CH3:21])[cH:14][cH:15][c:16]([CH:18]([CH3:19])[CH3:20])[cH:17]2)[c:6]([O:8][CH3:9])[n:7]1.[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[O:117]1[CH2:118][CH2:119][O:120][CH2:121][CH2:122]1.[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>>[c:2]1(-[c:25]2[c:24]([CH3:23])[cH:29][cH:28][cH:27][c:26]2[CH3:30])[n:3][c:4]([CH3:22])[c:5]([CH2:10][O:11][c:12]2[c:13]([CH3:21])[cH:14][cH:15][c:16]([CH:18]([CH3:19])[CH3:20])[cH:17]2)[c:6]([O:8][CH3:9])[n:7]1