HRID150372

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6362

2-Iodopropane

C3H7I

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID136368377

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccnc(-c2ccc(OC(C)C)c(C#N)c2)c1

HCID66995041

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2183dffadee4f5ba20b831394d1a66c
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-:35].[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:10]2[cH:11][c:12]([C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18][n:19]2)[cH:6][cH:7][c:8]1[OH:9].[C:24](=[O:25])([O-:26])[O-:27].[CH2:36]([N+:37]([CH2:38][CH2:39][CH2:40][CH3:41])([CH2:42][CH2:43][CH2:44][CH3:45])[CH2:46][CH2:47][CH2:48][CH3:49])[CH2:50][CH2:51][CH3:52].[CH:20]([CH3:21])([CH3:22])[I:23].[K+:28].[K+:29].[O:30]=[CH:31][N:32]([CH3:33])[CH3:34].[OH2:53]>>[C:1](#[N:2])[c:3]1[cH:4][c:5](-[c:10]2[cH:11][c:12]([C:13](=[O:14])[O:15][CH3:16])[cH:17][cH:18][n:19]2)[cH:6][cH:7][c:8]1[O:9][CH:20]([CH3:21])[CH3:22]