HRID170253

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID31275

1,4-Dioxane

C4H8O2

HCID104967

Cesium(1+)

Cs+

2 次

HCID105144

Palladium(2+)

Pd+2

结构：CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1

HCID2734217

2-Dicyclohexylphosphino-2'-(N,N-dimethylamino)biphenyl

C26H36NP

HCID53406713

未命名化合物

HCID59657899

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)C=Cc1ccc(NC2CCN(C(=O)c3ccc(Cl)cc3)C2)nc1

HCID178470969

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-22243683a46641fe9986fec8efde1ca2
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:43](=[O:44])([O-:45])[O-:46].[CH3:70][CH2:71][O:72][C:73]([CH3:74])=[O:75].[CH:15]1([P:16]([CH:17]2[CH2:18][CH2:19][CH2:20][CH2:21][CH2:22]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][c:28]2-[c:29]2[c:30]([N:31]([CH3:32])[CH3:33])[cH:34][cH:35][cH:36][cH:37]2)[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42]1.[Cl:1][c:2]1[cH:3][cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:6][n:7]1.[Cl:49][c:50]1[cH:51][cH:52][c:53]([C:54](=[O:55])[N:56]2[CH2:57][CH:58]([NH2:61])[CH2:59][CH2:60]2)[cH:62][cH:63]1.[Cs+:47].[Cs+:48].[O-:77][C:78]([CH3:79])=[O:80].[O-:81][C:82]([CH3:83])=[O:84].[O:64]1[CH2:65][CH2:66][O:67][CH2:68][CH2:69]1.[Pd+2:76]>>[c:2]1([NH:61][CH:58]2[CH2:57][N:56]([C:54]([c:53]3[cH:52][cH:51][c:50]([Cl:49])[cH:63][cH:62]3)=[O:55])[CH2:60][CH2:59]2)[cH:3][cH:4][c:5]([CH:8]=[CH:9][C:10](=[O:11])[O:12][CH2:13][CH3:14])[cH:6][n:7]1