HRID135222

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

HCID46311137

Methyl 3,5-difluoropyridine-2-carboxylate

C7H5F2NO2

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)c1ncc(Oc2cc(C(=O)Nc3ccn(C)n3)cc3c2CC(C)(C)O3)cc1F

HCID59559964

Methyl 5-[[2,3-dihydro-2,2-dimethyl-6-[[(1-methyl-1H-pyrazol-3-yl)amino]carbonyl]-4-benzofuranyl]oxy]-3-fluoro-2-pyridinecarboxylate

C22H21FN4O5

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-03bee0c717a4404ca2f470bbdc2d9db1
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:34](=[O:35])([O-:36])[O-:37].[CH3:13][n:14]1[n:15][c:16]([NH:19][C:20](=[O:21])[c:22]2[cH:23][c:24]3[c:25]([c:31]([OH:33])[cH:32]2)[CH2:26][C:27]([CH3:29])([CH3:30])[O:28]3)[cH:17][cH:18]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][cH:7][c:8]([F:12])[cH:9][c:10]1[F:11].[Cs+:38].[Cs+:39].[O:40]=[CH:41][N:42]([CH3:43])[CH3:44]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[n:6][cH:7][c:8]([O:33][c:31]2[c:25]3[c:24]([cH:23][c:22]([C:20]([NH:19][c:16]4[n:15][n:14]([CH3:13])[cH:18][cH:17]4)=[O:21])[cH:32]2)[O:28][C:27]([CH3:29])([CH3:30])[CH2:26]3)[cH:9][c:10]1[F:11]