HRID87009

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID175

Acetate

C2H3O2-

2 次

HCID923

Sodium ion

Na+

2 次

HCID962

Water

H2O

HCID8857

Ethyl Acetate

C4H8O2

HCID19660

Carbonate Ion

CO3-2

HCID31374

Dimethylacetamide

C4H9NO

HCID105144

Palladium(2+)

Pd+2

HCID86640868

未命名化合物

PRODUCTS

产物

HCID66877829

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-2c9a31173d794a42bd2ef2bbbf8ac464
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应SMILES

[C:60]([O-:61])(=[O:62])[CH3:63].[C:65]([O-:66])(=[O:67])[CH3:68].[CH2:1]1[CH:2]([O:10][c:11]2[cH:12][c:13]([O:33][S:34]([C:35]([F:36])([F:37])[F:38])(=[O:39])=[O:40])[c:14]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH3:32])[cH:15][c:16]2-[c:17]2[cH:18][c:19]3[cH:20][n:21][n:22]([CH3:26])[c:23]3[cH:24][cH:25]2)[CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21.[CH3:48][CH2:49][O:50][C:51](=[O:52])[CH3:53].[CH3:54][N:55]([CH3:56])[C:57](=[O:58])[CH3:59].[Na+:41].[Na+:42].[O-:43][C:44](=[O:45])[O-:46].[OH2:47].[Pd+2:64]>>[CH2:1]1[CH:2]([O:10][c:11]2[cH:12][c:13]([C:54]#[N:55])[c:14]([CH2:27][CH2:28][C:29](=[O:30])[O:31][CH3:32])[cH:15][c:16]2-[c:17]2[cH:18][c:19]3[cH:20][n:21][n:22]([CH3:26])[c:23]3[cH:24][cH:25]2)[CH2:3][c:4]2[cH:5][cH:6][cH:7][cH:8][c:9]21