HRID96131

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID1140

Toluene

C7H8

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID13477029

6-Bromonaphthalene-2-carbaldehyde

C11H7BrO

HCID21037383

未命名化合物

PRODUCTS

生成物

结构：COc1ccc(-c2ccc3cc(C=O)ccc3c2)cc1-c1ccccc1

HCID86586040

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-c1810961a8724cd7bf266b1157c34e86
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

[Br:18][c:19]1[cH:20][c:21]2[cH:22][cH:23][c:24]([CH:29]=[O:30])[cH:25][c:26]2[cH:27][cH:28]1.[CH2:37]([OH:38])[CH3:39].[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[Na+:31].[Na+:32].[O-:33][C:34](=[O:35])[O-:36].[OH2:47].[Pd:54].[c:112]1([P:113]([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][cH:128][cH:129][cH:130]1.[c:1]1(-[c:7]2[cH:8][c:9]([B:15]([OH:16])[OH:17])[cH:10][cH:11][c:12]2[O:13][CH3:14])[cH:2][cH:3][cH:4][cH:5][cH:6]1.[c:40]1([CH3:41])[cH:42][cH:43][cH:44][cH:45][cH:46]1.[c:55]1([P:56]([c:57]2[cH:58][cH:59][cH:60][cH:61][cH:62]2)[c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[cH:69][cH:70][cH:71][cH:72][cH:73]1.[c:74]1([P:75]([c:76]2[cH:77][cH:78][cH:79][cH:80][cH:81]2)[c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[cH:88][cH:89][cH:90][cH:91][cH:92]1.[c:93]1([P:94]([c:95]2[cH:96][cH:97][cH:98][cH:99][cH:100]2)[c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[cH:107][cH:108][cH:109][cH:110][cH:111]1>>[c:1]1(-[c:7]2[cH:8][c:9](-[c:19]3[cH:20][c:21]4[cH:22][cH:23][c:24]([CH:29]=[O:30])[cH:25][c:26]4[cH:27][cH:28]3)[cH:10][cH:11][c:12]2[O:13][CH3:14])[cH:2][cH:3][cH:4][cH:5][cH:6]1