HRID2329239

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID222

Ammonia gas

H3N

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

HCID31275

1,4-Dioxane

C4H8O2

HCID12447266

N~1~,N~1~-Dimethylcyclohexane-1,2-diamine

C8H18N2

HCID13334065

5-Iodo-1-methyl-1H-pyrazole

C4H5IN2

HCID25098283

未命名化合物

PRODUCTS

生成物

结构：CN1C(=O)N(c2ccnn2C)CC1C(=O)NCc1ccc(Cl)cc1Cl

HCID25095958

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62bd2acf0718471fbee7ea48af83858b
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

[CH2:46]1[O:47][CH2:48][CH2:49][O:50][CH2:51]1.[CH3:35][N:36]([CH3:37])[CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH:43]1[NH2:44].[CH3:55][CH2:56][O:57][C:58](=[O:59])[CH3:60].[Cl:1][c:2]1[c:3]([CH2:9][NH:10][C:11](=[O:12])[CH:13]2[N:14]([CH3:19])[C:15](=[O:18])[NH:16][CH2:17]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1.[Cu:52][I:53].[I:20][c:21]1[cH:22][cH:23][n:24][n:25]1[CH3:26].[K+:32].[K+:33].[K+:34].[NH3:45].[OH2:54].[P:27]([O-:28])([O-:29])([O-:30])=[O:31]>>[Cl:1][c:2]1[c:3]([CH2:9][NH:10][C:11](=[O:12])[CH:13]2[N:14]([CH3:19])[C:15](=[O:18])[N:16]([c:21]3[cH:22][cH:23][n:24][n:25]3[CH3:26])[CH2:17]2)[cH:4][cH:5][c:6]([Cl:8])[cH:7]1