HRID305765

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID104967

Cesium(1+)

Cs+

2 次

HCID246010

2,4-dichloro-6-ethylpyrimidine

C6H6Cl2N2

结构：CCC(CC)C(=O)c1c[nH]c2cnc(-c3c(C)cccc3C)cc12

HCID67152526

未命名化合物

PRODUCTS

生成物

结构：CCc1cc(-n2cc(C(=O)C(CC)CC)c3cc(-c4c(C)cccc4C)ncc32)nc(Cl)n1

HCID86624081

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-8f4ac6fa275144c4be50cd42853c5d6a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

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