HRID99927

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8071

未命名化合物

HCID11776

Triphenylphosphine

C18H15P

4 次

HCID23938

Palladium

HCID74299

Benzeneboronic acid, p-chloro-

C6H6BClO2

HCID67528948

未命名化合物

PRODUCTS

生成物

结构：O=C1COC(=O)N1CCc1ccc(-c2ccc(Cl)cc2)cc1

HCID67528513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-5f7329c205d64025a19026dfc3caad4a
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:1][c:2]1[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]2[C:11](=[O:16])[O:12][CH2:13][C:14]2=[O:15])[cH:6][cH:7]1.[CH3:36][O:37][CH2:38][CH2:39][O:40][CH3:41].[Cl:17][c:18]1[cH:19][cH:20][c:21]([B:24]([OH:25])[OH:26])[cH:22][cH:23]1.[K+:33].[K+:34].[K+:35].[OH2:27].[P:28]([O-:29])([O-:30])([O-:31])=[O:32].[Pd:118].[c:42]1([P:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)[c:50]2[cH:51][cH:52][cH:53][cH:54][cH:55]2)[cH:56][cH:57][cH:58][cH:59][cH:60]1.[c:61]1([P:62]([c:63]2[cH:64][cH:65][cH:66][cH:67][cH:68]2)[c:69]2[cH:70][cH:71][cH:72][cH:73][cH:74]2)[cH:75][cH:76][cH:77][cH:78][cH:79]1.[c:80]1([P:81]([c:82]2[cH:83][cH:84][cH:85][cH:86][cH:87]2)[c:88]2[cH:89][cH:90][cH:91][cH:92][cH:93]2)[cH:94][cH:95][cH:96][cH:97][cH:98]1.[c:99]1([P:100]([c:101]2[cH:102][cH:103][cH:104][cH:105][cH:106]2)[c:107]2[cH:108][cH:109][cH:110][cH:111][cH:112]2)[cH:113][cH:114][cH:115][cH:116][cH:117]1>>[c:2]1(-[c:21]2[cH:20][cH:19][c:18]([Cl:17])[cH:23][cH:22]2)[cH:3][cH:4][c:5]([CH2:8][CH2:9][N:10]2[C:11](=[O:16])[O:12][CH2:13][C:14]2=[O:15])[cH:6][cH:7]1