HRID182236

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID8028

Tetrahydrofuran

C4H8O

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

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID3280088

未命名化合物

结构：Cc1ccc2c(Cl)nccc2c1Nc1ncccc1-c1ncnc2[nH]ccc12

HCID59627376

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(Nc3ccc(C#N)cc3)nccc2c1Nc1ncccc1-c1ncnc2[nH]ccc12

HCID25132667

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1fb864ad52384946a18bddd25abc72d1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[CH2:76]1[O:77][CH2:78][CH2:79][CH2:80]1.[CH3:137][OH:138].[CH3:66][Si:67]([N-:68][Si:69]([CH3:70])([CH3:71])[CH3:72])([CH3:73])[CH3:74].[CH:38]1([P:39]([CH:40]2[CH2:41][CH2:42][CH2:43][CH2:44][CH2:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][c:51]2-[c:52]2[cH:53][cH:54][cH:55][cH:56][c:57]2[N:58]([CH3:59])[CH3:60])[CH2:61][CH2:62][CH2:63][CH2:64][CH2:65]1.[Li+:75].[NH2:1][c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1.[O:101]=[C:102]([CH:103]=[CH:104][c:105]1[cH:106][cH:107][cH:108][cH:109][cH:110]1)[CH:111]=[CH:112][c:113]1[cH:114][cH:115][cH:116][cH:117][cH:118]1.[O:119]=[C:120]([CH:121]=[CH:122][c:123]1[cH:124][cH:125][cH:126][cH:127][cH:128]1)[CH:129]=[CH:130][c:131]1[cH:132][cH:133][cH:134][cH:135][cH:136]1.[O:83]=[C:84]([CH:85]=[CH:86][c:87]1[cH:88][cH:89][cH:90][cH:91][cH:92]1)[CH:93]=[CH:94][c:95]1[cH:96][cH:97][cH:98][cH:99][cH:100]1.[Pd:81].[Pd:82].[n:10]1[cH:11][n:12][c:13](-[c:19]2[c:20]([NH:25][c:26]3[c:27]4[cH:28][cH:29][n:30][c:31]([Cl:37])[c:32]4[cH:33][cH:34][c:35]3[CH3:36])[n:21][cH:22][cH:23][cH:24]2)[c:14]2[c:15]1[nH:16][cH:17][cH:18]2>>[NH:1]([c:2]1[cH:3][cH:4][c:5]([C:6]#[N:7])[cH:8][cH:9]1)[c:31]1[n:30][cH:29][cH:28][c:27]2[c:26]([NH:25][c:20]3[c:19](-[c:13]4[n:12][cH:11][n:10][c:15]5[c:14]4[cH:18][cH:17][nH:16]5)[cH:24][cH:23][cH:22][n:21]3)[c:35]([CH3:36])[cH:34][cH:33][c:32]21