HRID1206859

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID7909

4-Methyl-2-pentanone

C6H12O

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID75435

1-(2-Chloroethyl)imidazolidin-2-one

C5H9ClN2O

结构：Cn1nnc(-c2ccc3c(c2)c(C2=CCNCC2)cn3-c2ccc(F)cc2)n1

HCID18177226

未命名化合物

PRODUCTS

生成物

结构：Cn1nnc(-c2ccc3c(c2)c(C2=CCN(CCN4CCNC4=O)CC2)cn3-c2ccc(F)cc2)n1

HCID18177229

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0215191ee2b943c1a2fc680392bebcc2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (5/10)

反应 SMILES

[C:38](=[O:39])([O-:40])[O-:41].[CH2:46]([C:47]([CH3:48])=[O:49])[CH:50]([CH3:51])[CH3:52].[Cl:29][CH2:30][CH2:31][N:32]1[C:33](=[O:37])[NH:34][CH2:35][CH2:36]1.[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[cH:9][c:10]([C:23]3=[CH:28][CH2:27][NH:26][CH2:25][CH2:24]3)[c:11]3[cH:12][c:13](-[c:17]4[n:18][n:19][n:20]([CH3:22])[n:21]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1.[I-:45].[K+:42].[K+:43].[K+:44]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[n:8]2[cH:9][c:10]([C:23]3=[CH:28][CH2:27][N:26]([CH2:30][CH2:31][N:32]4[C:33](=[O:37])[NH:34][CH2:35][CH2:36]4)[CH2:25][CH2:24]3)[c:11]3[cH:12][c:13](-[c:17]4[n:18][n:19][n:20]([CH3:22])[n:21]4)[cH:14][cH:15][c:16]23)[cH:6][cH:7]1