HRID140707

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID19660

Carbonate

CO3-2

HCID66056

Piperazine, 2,6-dimethyl-

C6H14N2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：c1ccc(P(c2ccccc2)c2ccc3ccccc3c2-c2c(P(c3ccccc3)c3ccccc3)ccc3ccccc23)cc1

HCID634876

2,2'-Bis(diphenylphosphino)-1,1'-binaphthyl

C44H32P2

HCID21948375

未命名化合物

PRODUCTS

生成物

结构：COc1cc2c(cc1N1CC(C)NC(C)C1)N(C(C)=O)CC2

HCID21948374

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-414df5b53ddf4d57bd6eef3800bc2509
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:47](=[O:48])([O-:49])[O-:50].[C:53]([CH3:54])(=[O:55])[N:56]1[CH2:57][CH2:58][c:59]2[cH:60][c:61]([O:66][CH3:67])[c:62]([Br:65])[cH:63][c:64]21.[CH3:68][CH:69]1[NH:70][CH:71]([CH3:75])[CH2:72][NH:73][CH2:74]1.[Cs+:51].[Cs+:52].[O-:77][C:78]([CH3:79])=[O:80].[O-:81][C:82]([CH3:83])=[O:84].[Pd+2:76].[c:1]1([P:2]([c:3]2[cH:4][cH:5][cH:6][cH:7][cH:8]2)[c:9]2[cH:10][cH:11][c:12]3[c:13]([cH:14][cH:15][cH:16][cH:17]3)[c:18]2-[c:19]2[c:20]3[c:21]([cH:22][cH:23][cH:24][cH:25]3)[cH:26][cH:27][c:28]2[P:29]([c:30]2[cH:31][cH:32][cH:33][cH:34][cH:35]2)[c:36]2[cH:37][cH:38][cH:39][cH:40][cH:41]2)[cH:42][cH:43][cH:44][cH:45][cH:46]1>>[C:53]([CH3:54])(=[O:55])[N:56]1[CH2:57][CH2:58][c:59]2[cH:60][c:61]([O:66][CH3:67])[c:62]([N:73]3[CH2:72][CH:71]([CH3:75])[NH:70][CH:69]([CH3:68])[CH2:74]3)[cH:63][c:64]21