HRID155687

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

HCID78412

Phenyl dihydrogen orthoborate

C6H7BO3

反应SMILES：COC(=O)c1cc(Br)cn1Cc1ccc(Cl)cc1

HCID58306731

未命名化合物

PRODUCTS

产物

反应SMILES：COC(=O)c1cc(-c2ccccc2)cn1Cc1ccc(Cl)cc1

HCID58306767

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-23b883cf2c14423f929139a43443e5b6
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:1][c:2]1[cH:3][c:4]([C:15](=[O:16])[O:17][CH3:18])[n:5]([CH2:7][c:8]2[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]2)[cH:6]1.[CH3:118][CH2:119][O:120][C:121](=[O:122])[CH3:123].[Na+:34].[Na+:35].[O-:36][C:37](=[O:38])[O-:39].[O:19]=[CH:20][N:21]([CH3:22])[CH3:23].[OH2:117].[Pd:40].[c:24]1([O:30][B:31]([OH:32])[OH:33])[cH:25][cH:26][cH:27][cH:28][cH:29]1.[c:41]1([P:42]([c:43]2[cH:44][cH:45][cH:46][cH:47][cH:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][cH:54]2)[cH:55][cH:56][cH:57][cH:58][cH:59]1.[c:60]1([P:61]([c:62]2[cH:63][cH:64][cH:65][cH:66][cH:67]2)[c:68]2[cH:69][cH:70][cH:71][cH:72][cH:73]2)[cH:74][cH:75][cH:76][cH:77][cH:78]1.[c:79]1([P:80]([c:81]2[cH:82][cH:83][cH:84][cH:85][cH:86]2)[c:87]2[cH:88][cH:89][cH:90][cH:91][cH:92]2)[cH:93][cH:94][cH:95][cH:96][cH:97]1.[c:98]1([P:99]([c:100]2[cH:101][cH:102][cH:103][cH:104][cH:105]2)[c:106]2[cH:107][cH:108][cH:109][cH:110][cH:111]2)[cH:112][cH:113][cH:114][cH:115][cH:116]1>>[c:2]1(-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:3][c:4]([C:15](=[O:16])[O:17][CH3:18])[n:5]([CH2:7][c:8]2[cH:9][cH:10][c:11]([Cl:14])[cH:12][cH:13]2)[cH:6]1