HRID313068

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2734326

4-Cyanophenylboronic acid

C7H6BNO2

HCID57474835

未命名化合物

结构：CC1CN(C(=O)C2CCC(F)(F)CC2)CCN1c1nnc(Cl)c2ccncc12

HCID76585153

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C(=O)C2CCC(F)(F)CC2)CCN1c1nnc(-c2ccc(C#N)cc2)c2ccncc12

HCID68729513

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9512bb7276a04252b5206b3600f33959
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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