HRID1224203

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID95417

1,5-Diphenyl-1,4-pentadien-3-one

C17H14O

3 次

HCID44119596

5-Borono-4-chloro-2-methoxybenzoic acid

C8H8BClO5

HCID56973315

5-Bromo-2-(trifluoromethyl)pyridine-4-carbonitrile

C7H2BrF3N2

PRODUCTS

生成物

结构：COc1cc(Cl)c(-c2cnc(C(F)(F)F)cc2C#N)cc1C(=O)O

HCID68602194

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0cd0730ae1a34af0bb09601844ec9f6e
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

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