HRID669040

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID8071

未命名化合物

HCID8857

Ethyl acetate

C4H8O2

HCID28179

Fluoride

F-

HCID104967

Cesium(1+)

Cs+

HCID4198739

2,4-Dimethylphenylboronic acid

C8H11BO2

HCID67267116

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：Cc1ccc(-c2cccc3c2c(=O)c(C)nn3Cc2ccccc2)c(C)c1

HCID58938648

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-98554966a39148cd82157d3fbcc30e6a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (3/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (3/10)

反应 SMILES

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