HRID203476

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

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8028

Tetrahydrofuran

C4H8O

HCID19660

Carbonate

CO3-2

HCID74786

4-Pentenoic acid, ethyl ester

C7H12O2

HCID78966

9-Borabicyclo[3.3.1]nonane

C8H15B

HCID105144

Palladium(2+)

Pd+2

HCID22082661

未命名化合物

PRODUCTS

生成物

HCID18475432

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4881eedb7ec34902926b97e8aca10b7f
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

[C:1]([CH2:2][CH2:3][CH:4]=[CH2:5])(=[O:6])[O:7][CH2:8][CH3:9].[CH2:38]1[O:39][CH2:40][CH2:41][CH2:42]1.[CH:10]12[CH2:11][CH2:12][CH2:13][CH:14]([BH:15]1)[CH2:16][CH2:17][CH2:18]2.[Cl:25][c:26]1[n:27][c:28]2[n:29][cH:30][cH:31][cH:32][c:33]2[c:34]([Cl:37])[c:35]1[CH3:36].[K+:19].[K+:20].[O-:21][C:22]([O-:23])=[O:24].[O-:44][C:45]([CH3:46])=[O:47].[O-:48][C:49]([CH3:50])=[O:51].[O:52]=[CH:53][N:54]([CH3:55])[CH3:56].[Pd+2:43]>>[C:1]([CH2:2][CH2:3][CH2:4][CH2:5][c:26]1[n:27][c:28]2[n:29][cH:30][cH:31][cH:32][c:33]2[c:34]([Cl:37])[c:35]1[CH3:36])(=[O:6])[O:7][CH2:8][CH3:9]