HRID1117408

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID23938

Palladium

2 次

HCID80764

4-Cyclohexylaniline

C12H17N

HCID95417

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

C17H14O

3 次

结构：c1ccc(-c2ccccc2P(C2CCCCC2)C2CCCCC2)cc1

HCID2734216

2-(Dicyclohexylphosphino)biphenyl

C24H31P

HCID4574913

未命名化合物

HCID58881791

未命名化合物

PRODUCTS

生成物

结构：CCNC(=O)Nc1ccc2ncc(Nc3ccc(C4CCCCC4)cc3)nc2n1

HCID16727307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-109efc22fb574bb080f9c5225c110681
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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