HRID2152848

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6342

Acetonitrile

C2H3N

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID67878

Methyl 4-fluorobenzoate

C8H7FO2

HCID104967

Cesium(1+)

Cs+

2 次

结构：CN(C)C(=O)C(Cc1cccc(O)c1)NC(=O)OC(C)(C)C

HCID59496639

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Oc2cccc(CC(NC(=O)OC(C)(C)C)C(=O)N(C)C)c2)cc1

HCID59496716

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-6208884d781d4737a22895cb6abcacb1
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[C:34](=[O:35])([O-:36])[O-:37].[CH3:1][N:2]([C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([OH:12])[cH:9][cH:10][cH:11]1)[NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])=[O:21])[CH3:22].[CH3:40][C:41]#[N:42].[CH3:43][CH2:44][O:45][C:46](=[O:47])[CH3:48].[Cs+:38].[Cs+:39].[F:23][c:24]1[cH:25][cH:26][c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33]1>>[CH3:1][N:2]([C:3]([CH:4]([CH2:5][c:6]1[cH:7][c:8]([O:12][c:24]2[cH:25][cH:26][c:27]([C:28](=[O:29])[O:30][CH3:31])[cH:32][cH:33]2)[cH:9][cH:10][cH:11]1)[NH:13][C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])=[O:21])[CH3:22]