HRID2339114

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID23053520

Methyl 5-fluoropyridine-2-carboxylate

C7H6FNO2

结构：Cn1ccc(NC(=O)c2cc(O)c3c(c2)OC(C)(C)C3)n1

HCID59560084

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(Oc2cc(C(=O)Nc3ccn(C)n3)cc3c2CC(C)(C)O3)cn1

HCID59560149

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1d0f4dec24a40cbaf88d132f824cbe5
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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