HRID96535

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

结构：CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1

HCID11155794

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

C33H49P

结构：CC(C)(C)OC(=O)c1ccc(N2CCc3ccccc32)cc1N

HCID68957351

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)c1ccc(N2CCc3ccccc32)cc1Nc1ccc2sccc2c1

HCID68960417

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0a6bc387c58c471991344e4573b66b52
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[Br:24][c:25]1[cH:26][cH:27][c:28]2[c:29]([cH:30][cH:31][s:32]2)[cH:33]1.[C:130]([O-:131])(=[O:132])[CH3:133].[C:135]([O-:136])(=[O:137])[CH3:138].[C:34](=[O:35])([O-:36])[O-:37].[CH3:139][c:140]1[cH:141][cH:142][cH:143][cH:144][cH:145]1.[CH:40]1([P:41]([CH:42]2[CH2:43][CH2:44][CH2:45][CH2:46][CH2:47]2)[c:48]2[cH:49][cH:50][cH:51][cH:52][c:53]2-[c:54]2[c:55]([CH:56]([CH3:57])[CH3:58])[cH:59][c:60]([CH:61]([CH3:62])[CH3:63])[cH:64][c:65]2[CH:66]([CH3:67])[CH3:68])[CH2:69][CH2:70][CH2:71][CH2:72][CH2:73]1.[Cs+:38].[Cs+:39].[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]([N:15]2[CH2:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]32)[cH:14]1.[O:112]=[C:113]([CH:114]=[CH:115][c:116]1[cH:117][cH:118][cH:119][cH:120][cH:121]1)[CH:122]=[CH:123][c:124]1[cH:125][cH:126][cH:127][cH:128][cH:129]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+2:134].[Pd:74].[Pd:75]>>[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]([N:15]2[CH2:16][CH2:17][c:18]3[cH:19][cH:20][cH:21][cH:22][c:23]32)[cH:14]1)[c:25]1[cH:26][cH:27][c:28]2[c:29]([cH:30][cH:31][s:32]2)[cH:33]1