HRID819906

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID1140

Toluene

C7H8

HCID12025

2-Pyrrolidinone

C4H7NO

HCID24350

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

CuI

HCID66053

N,N-Dimethylethylenediamine

C4H12N2

结构：COc1cc2ncnc(C3CCN(C(=O)Nc4ccc(I)cc4)CC3)c2cc1OC

HCID58770730

未命名化合物

PRODUCTS

生成物

结构：COc1cc2ncnc(C3CCN(C(=O)Nc4ccc(N5CCCC5=O)cc4)CC3)c2cc1OC

HCID58770733

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-e8289fd30bc542428dd1626277633eeb
来源数据集: Test data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Test data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

[CH3:37][N:38]([CH3:39])[CH2:40][CH2:41][NH2:42].[CH3:51][c:52]1[cH:53][cH:54][cH:55][cH:56][cH:57]1.[Cu:58][I:59].[I:1][c:2]1[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[N:11]2[CH2:12][CH2:13][CH:14]([c:17]3[n:18][cH:19][n:20][c:21]4[cH:22][c:23]([O:29][CH3:30])[c:24]([O:27][CH3:28])[cH:25][c:26]34)[CH2:15][CH2:16]2)[cH:6][cH:7]1.[K+:48].[K+:49].[K+:50].[O:31]=[C:32]1[CH2:33][CH2:34][CH2:35][NH:36]1.[P:43]([O-:44])([O-:45])([O-:46])=[O:47]>>[c:2]1([N:36]2[C:32](=[O:31])[CH2:33][CH2:34][CH2:35]2)[cH:3][cH:4][c:5]([NH:8][C:9](=[O:10])[N:11]2[CH2:12][CH2:13][CH:14]([c:17]3[n:18][cH:19][n:20][c:21]4[cH:22][c:23]([O:29][CH3:30])[c:24]([O:27][CH3:28])[cH:25][c:26]34)[CH2:15][CH2:16]2)[cH:6][cH:7]1