HRID208022

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID8070

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

C4H12N2

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

结构：CC1(C)Cc2cc(C(=O)O)ccc2NC1c1cccc(Br)c1

HCID58476194

未命名化合物

PRODUCTS

生成物

结构：CNCCN(C)c1cccc(C2Nc3ccc(C(=O)O)cc3CC2(C)C)c1

HCID53492178

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-17c5fc6a2f0a46e089226d5310be4213
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

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