HRID161787

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID2733267

2-Methylphenylboronic acid

C7H9BO2

HCID59338485

未命名化合物

PRODUCTS

生成物

结构：Cc1ccccc1-c1ncc(C(=O)N2CCN(C(C)C)CC2)n1C

HCID59337779

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1b08885cd2744580a5fd8a944a4680a1
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

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