HRID2139448

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6344

Dichloromethane

CH2Cl2

HCID8028

Tetrahydrofuran

C4H8O

HCID8471

Triethylamine

C6H15N

HCID13396

Benzonitrile, 4-amino-

C7H6N2

HCID23938

Palladium

2 次

HCID28486

Lithium ion

Li+

HCID95417

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

C17H14O

3 次

HCID3280088

未命名化合物

结构：Cc1ccc2c(Cl)nccc2c1Nc1ncccc1-c1ncnc2[nH]ncc12

HCID59627378

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(Nc3ccc(C#N)cc3)nccc2c1Nc1ncccc1-c1ncnc2[nH]ncc12

HCID59627369

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-603182fca0c740c0b2fad35830fcc511
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:51]1[O:52][CH2:53][CH2:54][CH2:55]1.[CH3:112][CH2:113][N:114]([CH2:115][CH3:116])[CH2:117][CH3:118].[CH3:38][Si:39]([N-:40][Si:41]([CH3:42])([CH3:43])[CH3:44])([CH3:45])[CH3:46].[Cl:48][CH2:49][Cl:50].[Li+:47].[NH2:29][c:30]1[cH:31][cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37]1.[O:58]=[C:59]([CH:60]=[CH:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1)[CH:68]=[CH:69][c:70]1[cH:71][cH:72][cH:73][cH:74][cH:75]1.[O:76]=[C:77]([CH:78]=[CH:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1)[CH:86]=[CH:87][c:88]1[cH:89][cH:90][cH:91][cH:92][cH:93]1.[O:94]=[C:95]([CH:96]=[CH:97][c:98]1[cH:99][cH:100][cH:101][cH:102][cH:103]1)[CH:104]=[CH:105][c:106]1[cH:107][cH:108][cH:109][cH:110][cH:111]1.[Pd:56].[Pd:57].[nH:1]1[n:2][cH:3][c:4]2[c:5]1[n:6][cH:7][n:8][c:9]2-[c:10]1[c:11]([NH:16][c:17]2[c:18]3[cH:19][cH:20][n:21][c:22]([Cl:28])[c:23]3[cH:24][cH:25][c:26]2[CH3:27])[n:12][cH:13][cH:14][cH:15]1>>[nH:1]1[n:2][cH:3][c:4]2[c:5]1[n:6][cH:7][n:8][c:9]2-[c:10]1[c:11]([NH:16][c:17]2[c:18]3[cH:19][cH:20][n:21][c:22]([NH:29][c:30]4[cH:31][cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37]4)[c:23]3[cH:24][cH:25][c:26]2[CH3:27])[n:12][cH:13][cH:14][cH:15]1