HRID95953

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID3283

Diethyl Ether

C4H10O

HCID19660

Carbonate

CO3-2

HCID2733958

2-Methoxyphenylboronic acid

C7H9BO3

HCID57862084

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：CCOC(=O)c1cccc(C2=C(c3ccccc3OC)CCC2)c1

HCID69507915

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-025ba3993629446fabfedb5da029d2b9
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:29](=[O:30])([O-:31])[O-:32].[CH2:12]([CH3:13])[O:14][C:15]([c:16]1[cH:17][c:18]([C:22]2=[C:23]([Br:27])[CH2:24][CH2:25][CH2:26]2)[cH:19][cH:20][cH:21]1)=[O:28].[CH2:35]([OH:36])[CH3:37].[CH2:46]([O:47][CH2:48][CH3:49])[CH3:50].[CH3:1][O:2][c:3]1[c:4]([B:9]([OH:10])[OH:11])[cH:5][cH:6][cH:7][cH:8]1.[K+:33].[K+:34].[OH2:45].[c:38]1([CH3:39])[cH:40][cH:41][cH:42][cH:43][cH:44]1.[cH:51]1[cH:52][cH:53][c:54]([P:55]([Pd:56]([P:57]([c:58]2[cH:59][cH:60][cH:61][cH:62][cH:63]2)([c:64]2[cH:65][cH:66][cH:67][cH:68][cH:69]2)[c:70]2[cH:71][cH:72][cH:73][cH:74][cH:75]2)([P:76]([c:77]2[cH:78][cH:79][cH:80][cH:81][cH:82]2)([c:83]2[cH:84][cH:85][cH:86][cH:87][cH:88]2)[c:89]2[cH:90][cH:91][cH:92][cH:93][cH:94]2)[P:95]([c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)([c:102]2[cH:103][cH:104][cH:105][cH:106][cH:107]2)[c:108]2[cH:109][cH:110][cH:111][cH:112][cH:113]2)([c:114]2[cH:115][cH:116][cH:117][cH:118][cH:119]2)[c:120]2[cH:121][cH:122][cH:123][cH:124][cH:125]2)[cH:126][cH:127]1>>[CH3:1][O:2][c:3]1[c:4]([C:23]2=[C:22]([c:18]3[cH:17][c:16]([C:15]([O:14][CH2:12][CH3:13])=[O:28])[cH:21][cH:20][cH:19]3)[CH2:26][CH2:25][CH2:24]2)[cH:5][cH:6][cH:7][cH:8]1