HRID1563025

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID614

DL-Proline

C5H9NO2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

HCID961

Hydroxide

HO-

HCID8083

Morpholine

C4H9NO

HCID8857

Ethyl acetate

C4H8O2

HCID24350

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

CuI

结构：CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(Cl)cc(Br)c1)N2

HCID67440990

未命名化合物

PRODUCTS

生成物

结构：CCOC(=O)c1ccc2c(c1)CC(C)(C)C(c1cc(Cl)cc(N3CCOCC3)c1)N2

HCID67441723

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-15c42e18a26d452fb38380dfe2a71cf8
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

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