HRID302903

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

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CC(C)(C)P(c1ccc2ccccc2c1-c1cccc2ccccc12)C(C)(C)C

HCID2734941

[1,1'-Binaphthalen]-2-yldi-tert-butylphosphine

C28H31P

HCID11769234

6-Bromonicotinaldehyde

C6H4BrNO

HCID57771578

未命名化合物

PRODUCTS

生成物

HCID57771487

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4cd88442e43b4480bfda4722b61a2e32
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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