HRID1543980

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

HCID23938

Palladium

2 次

HCID95417

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

C17H14O

3 次

HCID104967

Cesium(1+)

Cs+

2 次

反应SMILES：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID736793

5-bromonicotinonitrile

C6H3BrN2

HCID50990188

Benzyl 3,6-diazabicyclo[3.2.0]heptane-3-carboxylate

C13H16N2O2

PRODUCTS

产物

反应SMILES：N#Cc1cncc(N2CC3CN(C(=O)OCc4ccccc4)CC32)c1

HCID178510340

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-3ba0e6783f3d4def90c7851e9627cfbb
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

[C:18](#[N:19])[c:20]1[cH:21][n:22][cH:23][c:24]([Br:26])[cH:25]1.[C:73](=[O:74])([O-:75])[O-:76].[CH3:79][c:80]1[cH:81][cH:82][cH:83][cH:84][cH:85]1.[CH:1]12[CH2:2][N:3]([C:8](=[O:9])[O:10][CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[CH2:4][CH:5]1[NH:6][CH2:7]2.[Cs+:77].[Cs+:78].[O:106]=[C:107]([CH:108]=[CH:109][c:110]1[cH:111][cH:112][cH:113][cH:114][cH:115]1)[CH:116]=[CH:117][c:118]1[cH:119][cH:120][cH:121][cH:122][cH:123]1.[O:124]=[C:125]([CH:126]=[CH:127][c:128]1[cH:129][cH:130][cH:131][cH:132][cH:133]1)[CH:134]=[CH:135][c:136]1[cH:137][cH:138][cH:139][cH:140][cH:141]1.[O:88]=[C:89]([CH:90]=[CH:91][c:92]1[cH:93][cH:94][cH:95][cH:96][cH:97]1)[CH:98]=[CH:99][c:100]1[cH:101][cH:102][cH:103][cH:104][cH:105]1.[Pd:86].[Pd:87].[cH:27]1[cH:28][cH:29][c:30]([P:31]([c:32]2[cH:33][cH:34][c:35]3[c:36]([cH:37][cH:38][cH:39][cH:40]3)[c:41]2-[c:42]2[c:43]3[c:44]([cH:45][cH:46][cH:47][cH:48]3)[cH:49][cH:50][c:51]2[P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)[c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[cH:71][cH:72]1>>[CH:1]12[CH2:2][N:3]([C:8](=[O:9])[O:10][CH2:11][c:12]3[cH:13][cH:14][cH:15][cH:16][cH:17]3)[CH2:4][CH:5]1[N:6]([c:24]1[cH:23][n:22][cH:21][c:20]([C:18]#[N:19])[cH:25]1)[CH2:7]2