HRID197598

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID887

Methanol

CH4O

HCID8070

N,N'-Dimethylethane-1,2-diamine

C4H12N2

HCID12025

2-Pyrrolidinone

C4H7NO

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID31275

1,4-Dioxane

C4H8O2

结构：Clc1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1

HCID10404342

未命名化合物

PRODUCTS

生成物

结构：O=C1CCCN1c1cnc(Oc2ccc3c(c2)CCN(C2CCC2)CC3)cn1

HCID10091068

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3519de33996842268ad11e444fdab283
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

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