HRID1229258

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

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

HCID15391287

(3-Chloro-5-fluorophenyl)boronic acid

C6H5BClFO2

反应SMILES：CCOC(=O)c1cc(Br)c(-c2cccc(C#N)c2)o1

HCID58064801

未命名化合物

PRODUCTS

产物

反应SMILES：CCOC(=O)c1cc(-c2cc(F)cc(Cl)c2)c(-c2cccc(C#N)c2)o1

HCID58064795

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-61a3d81f4e4b4cafad60bbb23b3c9157
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应SMILES

[Br:1][c:2]1[cH:3][c:4]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[o:5][c:6]1-[c:7]1[cH:8][c:9]([C:13]#[N:14])[cH:10][cH:11][cH:12]1.[C:31](=[O:32])([O-:33])[O-:34].[CH3:71][O:72][CH2:73][CH2:74][O:75][CH3:76].[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[c:52]([CH:53]([CH3:54])[CH3:55])[cH:56][c:57]([CH:58]([CH3:59])[CH3:60])[cH:61][c:62]2[CH:63]([CH3:64])[CH3:65])[CH2:66][CH2:67][CH2:68][CH2:69][CH2:70]1.[Cl:20][c:21]1[cH:22][c:23]([B:28]([OH:29])[OH:30])[cH:24][c:25]([F:27])[cH:26]1.[Cs+:35].[Cs+:36].[O-:78][C:79]([CH3:80])=[O:81].[O-:82][C:83]([CH3:84])=[O:85].[Pd+2:77]>>[c:2]1(-[c:23]2[cH:22][c:21]([Cl:20])[cH:26][c:25]([F:27])[cH:24]2)[cH:3][c:4]([C:15](=[O:16])[O:17][CH2:18][CH3:19])[o:5][c:6]1-[c:7]1[cH:8][c:9]([C:13]#[N:14])[cH:10][cH:11][cH:12]1