HRID1138995

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID8058

n-Hexane

C6H14

HCID19660

Carbonate

CO3-2

HCID18437832

(2,6-Diethylphenyl)boronic acid

C10H15BO2

HCID22498691

Methyl 6-chloro-4-methoxypyridine-3-carboxylate

C8H8ClNO3

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

HCID59678088

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-63babe14f82a4cdb87a561d59b418250
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].[CH2:14]([CH3:15])[c:16]1[c:17]([B:24]([OH:25])[OH:26])[c:18]([CH2:22][CH3:23])[cH:19][cH:20][cH:21]1.[CH3:1][O:2][C:3]([c:4]1[cH:5][n:6][c:7]([Cl:12])[cH:8][c:9]1[O:10][CH3:11])=[O:13].[CH3:33][CH2:34][CH2:35][CH2:36][CH2:37][CH3:38].[CH3:39][c:40]1[cH:41][cH:42][cH:43][cH:44][cH:45]1.[Na+:31].[Na+:32].[cH:46]1[cH:47][cH:48][c:49]([P:50]([Pd:51]([P:52]([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)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)([P:71]([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)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)[P:90]([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)[c:115]2[cH:116][cH:117][cH:118][cH:119][cH:120]2)[cH:121][cH:122]1>>[CH3:1][O:2][C:3]([c:4]1[cH:5][n:6][c:7](-[c:17]2[c:16]([CH2:14][CH3:15])[cH:21][cH:20][cH:19][c:18]2[CH2:22][CH3:23])[cH:8][c:9]1[O:10][CH3:11])=[O:13]