HRID207710

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

HCID19660

Carbonate

CO3-2

HCID24350

Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)

CuI

HCID70700

Dipivaloylmethane

C11H20O2

HCID71061088

未命名化合物

HCID178418716

未命名化合物

PRODUCTS

生成物

结构：COC(=O)C1=C(C)c2cc(-n3cnc(-c4ccc(OC)cc4)c3)ccc2OCC1

HCID71062477

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-ae54ac64af1d4dd886a491b12f7df1e4
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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