HRID134884

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

HCID10632151

未命名化合物

HCID13477029

6-Bromonaphthalene-2-carbaldehyde

C11H7BrO

PRODUCTS

生成物

结构：COc1ccc(-c2ccc3cc(C=O)ccc3c2)cc1C(C)(C)C

HCID86586043

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8b95127b040f49a8ad02030e0a14d983
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:16][c:17]1[cH:18][c:19]2[cH:20][cH:21][c:22]([CH:27]=[O:28])[cH:23][c:24]2[cH:25][cH:26]1.[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7]([B:13]([OH:14])[OH:15])[cH:8][cH:9][c:10]1[O:11][CH3:12].[CH2:35]([OH:36])[CH3:37].[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Na+:29].[Na+:30].[O-:31][C:32](=[O:33])[O-:34].[OH2:45].[Pd:52].[c:110]1([P:111]([c:112]2[cH:113][cH:114][cH:115][cH:116][cH:117]2)[c:118]2[cH:119][cH:120][cH:121][cH:122][cH:123]2)[cH:124][cH:125][cH:126][cH:127][cH:128]1.[c:38]1([CH3:39])[cH:40][cH:41][cH:42][cH:43][cH:44]1.[c:53]1([P:54]([c:55]2[cH:56][cH:57][cH:58][cH:59][cH:60]2)[c:61]2[cH:62][cH:63][cH:64][cH:65][cH:66]2)[cH:67][cH:68][cH:69][cH:70][cH:71]1.[c:72]1([P:73]([c:74]2[cH:75][cH:76][cH:77][cH:78][cH:79]2)[c:80]2[cH:81][cH:82][cH:83][cH:84][cH:85]2)[cH:86][cH:87][cH:88][cH:89][cH:90]1.[c:91]1([P:92]([c:93]2[cH:94][cH:95][cH:96][cH:97][cH:98]2)[c:99]2[cH:100][cH:101][cH:102][cH:103][cH:104]2)[cH:105][cH:106][cH:107][cH:108][cH:109]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][c:7](-[c:17]2[cH:18][c:19]3[cH:20][cH:21][c:22]([CH:27]=[O:28])[cH:23][c:24]3[cH:25][cH:26]2)[cH:8][cH:9][c:10]1[O:11][CH3:12]