HRID1566326

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID3682148

4-Hexyloxyphenylboronic acid

C12H19BO3

HCID11033938

Diethyl 2-bromoterephthalate

C12H13BrO4

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：CCCCCCOc1ccc(-c2cc(C(=O)OCC)ccc2C(=O)OCC)cc1

HCID11069361

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-a2826d5aaaab43709ad55e45351ace86
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应 SMILES

[Br:1][c:2]1[c:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[cH:9][cH:10][c:11]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:12]1.[CH2:31]([CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[O:37][c:38]1[cH:39][cH:40][c:41]([B:44]([OH:45])[OH:46])[cH:42][cH:43]1.[CH3:24][c:25]1[cH:26][cH:27][cH:28][cH:29][cH:30]1.[K+:18].[K+:19].[O-:20][C:21]([O-:22])=[O:23].[OH2:124].[cH:47]1[cH:48][cH:49][c:50]([P:51]([Pd:52]([P:53]([c:54]2[cH:55][cH:56][cH:57][cH:58][cH:59]2)([c:60]2[cH:61][cH:62][cH:63][cH:64][cH:65]2)[c:66]2[cH:67][cH:68][cH:69][cH:70][cH:71]2)([P:72]([c:73]2[cH:74][cH:75][cH:76][cH:77][cH:78]2)([c:79]2[cH:80][cH:81][cH:82][cH:83][cH:84]2)[c:85]2[cH:86][cH:87][cH:88][cH:89][cH:90]2)[P:91]([c:92]2[cH:93][cH:94][cH:95][cH:96][cH:97]2)([c:98]2[cH:99][cH:100][cH:101][cH:102][cH:103]2)[c:104]2[cH:105][cH:106][cH:107][cH:108][cH:109]2)([c:110]2[cH:111][cH:112][cH:113][cH:114][cH:115]2)[c:116]2[cH:117][cH:118][cH:119][cH:120][cH:121]2)[cH:122][cH:123]1>>[c:2]1(-[c:41]2[cH:40][cH:39][c:38]([O:37][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[cH:43][cH:42]2)[c:3]([C:4](=[O:5])[O:6][CH2:7][CH3:8])[cH:9][cH:10][c:11]([C:13](=[O:14])[O:15][CH2:16][CH3:17])[cH:12]1