HRID2317833

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

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

HCID105144

Palladium(2+)

Pd+2

HCID2776578

5-Bromo-1-benzothiophene

C8H5BrS

反应SMILES：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

2-Dicyclohexylphosphino-2',4',6'-triisoprophylbiphenyl

C33H49P

反应SMILES：COc1cccc(CCc2ccc(C(=O)OC(C)(C)C)c(N)c2)c1

HCID68957309

未命名化合物

PRODUCTS

产物

反应SMILES：COc1cccc(CCc2ccc(C(=O)OC(C)(C)C)c(Nc3ccc4sccc4c3)c2)c1

HCID68958718

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-d5c81ff4381e453485aecd91c9d6453f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应SMILES

[Br:25][c:26]1[cH:27][cH:28][c:29]2[c:30]([cH:31][cH:32][s:33]2)[cH:34]1.[C:131]([O-:132])(=[O:133])[CH3:134].[C:136]([O-:137])(=[O:138])[CH3:139].[C:35](=[O:36])([O-:37])[O-:38].[CH3:140][c:141]1[cH:142][cH:143][cH:144][cH:145][cH:146]1.[CH:41]1([P:42]([CH:43]2[CH2:44][CH2:45][CH2:46][CH2:47][CH2:48]2)[c:49]2[cH:50][cH:51][cH:52][cH:53][c:54]2-[c:55]2[c:56]([CH:57]([CH3:58])[CH3:59])[cH:60][c:61]([CH:62]([CH3:63])[CH3:64])[cH:65][c:66]2[CH:67]([CH3:68])[CH3:69])[CH2:70][CH2:71][CH2:72][CH2:73][CH2:74]1.[Cs+:39].[Cs+:40].[NH2:1][c:2]1[c:3]([C:4](=[O:5])[O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[cH:11][cH:12][c:13]([CH2:15][CH2:16][c:17]2[cH:18][c:19]([O:23][CH3:24])[cH:20][cH:21][cH:22]2)[cH:14]1.[O:113]=[C:114]([CH:115]=[CH:116][c:117]1[cH:118][cH:119][cH:120][cH:121][cH:122]1)[CH:123]=[CH:124][c:125]1[cH:126][cH:127][cH:128][cH:129][cH:130]1.[O:77]=[C:78]([CH:79]=[CH:80][c:81]1[cH:82][cH:83][cH:84][cH:85][cH:86]1)[CH:87]=[CH:88][c:89]1[cH:90][cH:91][cH:92][cH:93][cH:94]1.[O:95]=[C:96]([CH:97]=[CH:98][c:99]1[cH:100][cH:101][cH:102][cH:103][cH:104]1)[CH:105]=[CH:106][c:107]1[cH:108][cH:109][cH:110][cH:111][cH:112]1.[Pd+2:135].[Pd:75].[Pd:76]>>[NH:1]([c:2]1[c:3]([C:4](=[O:5])[O:6][C:7]([CH3:8])([CH3:9])[CH3:10])[cH:11][cH:12][c:13]([CH2:15][CH2:16][c:17]2[cH:18][c:19]([O:23][CH3:24])[cH:20][cH:21][cH:22]2)[cH:14]1)[c:26]1[cH:27][cH:28][c:29]2[c:30]([cH:31][cH:32][s:33]2)[cH:34]1