HRID303036

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID614

DL-Proline

C5H9NO2

HCID813

Potassium cation

K+

3 次

HCID971

Oxalic acid

C2H2O4

HCID1061

Phosphate

O4P-3

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID24350

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

CuI

HCID71081

Oxalic acid, ion(2-)

C2O4-2

HCID222365

2-Chloro-N-cyclohexylacetamide

C8H14ClNO

HCID68560092

未命名化合物

PRODUCTS

生成物

结构：Cc1ccc2c(c1)c1c(n2CC(=O)NC2CCCCC2)CCN(C)CC1

HCID59368307

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-00fb65cd80864e6888ad6e95f18d56b3
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

[C:50]([O-:51])(=[O:52])[C:53]([O-:54])=[O:55].[CH3:1][N:2]1[CH2:3][CH2:4][c:5]2[nH:6][c:7]3[cH:8][cH:9][c:10]([CH3:16])[cH:11][c:12]3[c:13]2[CH2:14][CH2:15]1.[Cl:33][CH2:34][C:35](=[O:36])[NH:37][CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]1.[Cu:56][I:57].[K+:30].[K+:31].[K+:32].[O:58]=[CH:59][N:60]([CH3:61])[CH3:62].[OH:17][C:18]([CH:19]1[NH:20][CH2:21][CH2:22][CH2:23]1)=[O:24].[OH:44][C:45]([C:46](=[O:47])[OH:48])=[O:49].[P:25]([O-:26])([O-:27])([O-:28])=[O:29]>>[CH3:1][N:2]1[CH2:3][CH2:4][c:5]2[n:6]([CH2:34][C:35](=[O:36])[NH:37][CH:38]3[CH2:39][CH2:40][CH2:41][CH2:42][CH2:43]3)[c:7]3[cH:8][cH:9][c:10]([CH3:16])[cH:11][c:12]3[c:13]2[CH2:14][CH2:15]1