HRID303849

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID223

Ammonia ion (NH4+)

H4N+

HCID312

Chloride

Cl-

HCID813

Potassium cation

K+

3 次

HCID1061

Phosphate

O4P-3

HCID8070

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

C4H12N2

HCID31275

1,4-Dioxane

C4H8O2

HCID83717

Copper iodide (CuI2)

CuI2

HCID136721

2-Azetidinone

C3H5NO

结构：O=c1[nH]c(-c2ccccc2C(F)(F)F)cc2ccc(I)cc12

HCID23156803

未命名化合物

PRODUCTS

生成物

结构：O=C1CCN1c1ccc2cc(-c3ccccc3C(F)(F)F)[nH]c(=O)c2c1

HCID11853418

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-685d136cf50d423887cf49b78d37e017
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[CH2:44]1[O:45][CH2:46][CH2:47][O:48][CH2:49]1.[CH3:36][NH:37][CH2:38][CH2:39][NH:40][CH3:41].[Cl-:42].[Cu:50]([I:51])[I:52].[I:1][c:2]1[cH:3][cH:4][c:5]2[cH:6][c:7](-[c:13]3[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]3)[nH:8][c:9](=[O:12])[c:10]2[cH:11]1.[K+:33].[K+:34].[K+:35].[NH4+:43].[NH:23]1[C:24](=[O:27])[CH2:25][CH2:26]1.[P:28]([O-:29])([O-:30])([O-:31])=[O:32]>>[c:2]1([N:23]2[C:24](=[O:27])[CH2:25][CH2:26]2)[cH:3][cH:4][c:5]2[cH:6][c:7](-[c:13]3[c:14]([C:19]([F:20])([F:21])[F:22])[cH:15][cH:16][cH:17][cH:18]3)[nH:8][c:9](=[O:12])[c:10]2[cH:11]1