HRID165649

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID813

Potassium cation

K+

2 次

HCID923

Sodium ion

Na+

2 次

HCID1140

Toluene

C7H8

HCID19660

Carbonate

CO3-2

2 次

HCID105144

Palladium(2+)

Pd+2

HCID139377

Methylboronic acid

CH5BO2

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

HCID67991620

未命名化合物

PRODUCTS

生成物

HCID67975593

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-1cb1037cb4354ddd8e1a8a9a42a297ca
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[C:55](=[O:56])([O-:57])[O-:58].[C:68](=[O:69])([O-:70])[O-:71].[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8]2[c:9]([c:15]1[I:16])[C:10](=[O:14])[NH:11][CH2:12][CH2:13]2.[CH3:17][B:18]([OH:19])[OH:20].[CH3:61][c:62]1[cH:63][cH:64][cH:65][cH:66][cH:67]1.[CH:21]1([P:22]([CH:23]2[CH2:24][CH2:25][CH2:26][CH2:27][CH2:28]2)[c:29]2[cH:30][cH:31][cH:32][cH:33][c:34]2-[c:35]2[c:36]([CH:37]([CH3:38])[CH3:39])[cH:40][c:41]([CH:42]([CH3:43])[CH3:44])[cH:45][c:46]2[CH:47]([CH3:48])[CH3:49])[CH2:50][CH2:51][CH2:52][CH2:53][CH2:54]1.[K+:59].[K+:60].[Na+:72].[Na+:73].[O-:75][C:76]([CH3:77])=[O:78].[O-:79][C:80]([CH3:81])=[O:82].[Pd+2:74]>>[CH2:1]([CH3:2])[O:3][C:4](=[O:5])[c:6]1[n:7][n:8]2[c:9]([c:15]1[CH3:17])[C:10](=[O:14])[NH:11][CH2:12][CH2:13]2