HRID1560459

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

3 次

HCID962

Water

H2O

HCID1061

Phosphate

O4P-3

HCID6228

Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID9257

1H-1,2,4-Triazole

C2H3N3

HCID24350

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

CuI

HCID551074

N,N'-Dimethyl-1,2-cyclohexanediamine

C8H18N2

反应SMILES：CC(C)(C)OC(=O)NC1(c2ccc(I)cn2)CC1

HCID58431130

未命名化合物

PRODUCTS

产物

反应SMILES：CC(C)(C)OC(=O)NC1(c2ccc(-n3cncn3)cn2)CC1

HCID68379238

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD记录: ord-9b75ab600a1747dfa23e2b5e8ee196f2
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (1/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (1/10)

反应SMILES

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