HRID137699

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

HCID8857

Ethyl acetate

C4H8O2

HCID23938

Palladium

2 次

HCID28179

Fluoride

F-

HCID83681

Tris(1,1-dimethylethyl)phosphine

C12H27P

HCID95417

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

C17H14O

3 次

HCID11708078

5-CYANO-1-METHYL-1H-PYRROL-2-YLBORONIC ACID

C6H7BN2O2

HCID68426141

未命名化合物

PRODUCTS

生成物

结构：CCS(=O)(=O)N1CCc2cc(-c3ccc(C#N)n3C)ccc21

HCID25003906

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e9278cd4791c4da6b0f9a9981d19f924
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]2[c:8]([cH:9][cH:10]1)[N:7]([S:11](=[O:12])(=[O:13])[CH2:14][CH3:15])[CH2:6][CH2:5]2.[C:29]([P:30]([C:31]([CH3:32])([CH3:33])[CH3:34])[C:35]([CH3:36])([CH3:37])[CH3:38])([CH3:39])([CH3:40])[CH3:41].[CH3:16][n:17]1[c:18]([B:24]([OH:25])[OH:26])[cH:19][cH:20][c:21]1[C:22]#[N:23].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[F-:27].[K+:28].[O:50]=[C:51]([CH:52]=[CH:53][c:54]1[cH:55][cH:56][cH:57][cH:58][cH:59]1)[CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[O:68]=[C:69]([CH:70]=[CH:71][c:72]1[cH:73][cH:74][cH:75][cH:76][cH:77]1)[CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[O:86]=[C:87]([CH:88]=[CH:89][c:90]1[cH:91][cH:92][cH:93][cH:94][cH:95]1)[CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1.[Pd:48].[Pd:49]>>[c:2]1(-[c:18]2[n:17]([CH3:16])[c:21]([C:22]#[N:23])[cH:20][cH:19]2)[cH:3][c:4]2[c:8]([cH:9][cH:10]1)[N:7]([S:11](=[O:12])(=[O:13])[CH2:14][CH3:15])[CH2:6][CH2:5]2