HRID947864

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID813

Potassium cation

K+

2 次

HCID962

Water

H2O

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

HCID551074

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

C8H18N2

HCID19354428

6-Methyl-1H-indazol-4-amine

C8H9N3

HCID22254461

Benzyl 3-iodobenzoate

C14H11IO2

PRODUCTS

生成物

结构：Cc1cc(N)c2cnn(-c3cccc(C(=O)OCc4ccccc4)c3)c2c1

HCID59010011

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-2c8de47707304b0a9272cd6cfa3244e1
来源数据集: Validation data from https://doi.org/10.1039/C8SC04228D
DOI: 10.1039/C8SC04228D
来源说明: Validation data from https://doi.org/10.1039/C8SC04228D

反应 SMILES

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