HRID162361

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID28486

Lithium ion

Li+

HCID30165

Iodide ion

I-

HCID13985168

未命名化合物

结构：COc1ccc(CON=C(c2cc(C)cc(C#N)c2)c2[nH]c(=O)[nH]c(=O)c2C(C)C)cc1

HCID86619235

3-[[[(4-Methoxyphenyl)methoxy]imino][1,2,3,6-tetrahydro-5-(1-methylethyl)-2,6-dioxo-4-pyrimidinyl]methyl]-5-methylbenzonitrile

C24H24N4O4

PRODUCTS

生成物

结构：COc1ccc(CON=C(c2cc(C)cc(C#N)c2)c2c(C(C)C)c(=O)[nH]c(=O)n2Cc2ccnc(F)c2)cc1

HCID86619234

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ffd77dc237534b9eb869f4cde9ac29c6
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

[Br:39][CH2:40][c:41]1[cH:42][c:43]([F:47])[n:44][cH:45][cH:46]1.[C:33](=[O:34])([O-:35])[O-:36].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([C:12]([c:13]2[cH:14][c:15]([C:16]#[N:17])[cH:18][c:19]([CH3:21])[cH:20]2)=[N:22][O:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]2)[nH:6][c:7](=[O:11])[nH:8][c:9]1=[O:10].[I-:48].[K+:37].[K+:38].[Li+:49].[O:50]=[CH:51][N:52]([CH3:53])[CH3:54]>>[CH:1]([CH3:2])([CH3:3])[c:4]1[c:5]([C:12]([c:13]2[cH:14][c:15]([C:16]#[N:17])[cH:18][c:19]([CH3:21])[cH:20]2)=[N:22][O:23][CH2:24][c:25]2[cH:26][cH:27][c:28]([O:31][CH3:32])[cH:29][cH:30]2)[n:6]([CH2:40][c:41]2[cH:42][c:43]([F:47])[n:44][cH:45][cH:46]2)[c:7](=[O:11])[nH:8][c:9]1=[O:10]