HRID88072

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID673

Glycine, N,N-dimethyl-

C4H9NO2

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

2 次

HCID8083

Morpholine

C4H9NO

HCID8857

Ethyl acetate

C4H8O2

HCID19660

Carbonate

CO3-2

HCID24350

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

CuI

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

HCID67441542

2-(3-Bromo-5-methyl-phenyl)-3,3-dimethyl-1,2,3,4-tetrahydro-quinoline-6-carboxylic acid ethyl ester

C21H24BrNO2

PRODUCTS

生成物

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

HCID67442585

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f33a7ec44fc042298340ccfd4d99dfb3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

[C:39](=[O:40])([O-:41])[O-:42].[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]([CH3:22])[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.[CH3:32][N:33]([CH2:34][C:35](=[O:36])[OH:37])[CH3:38].[CH3:45][S:46]([CH3:47])=[O:48].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[Cu:49][I:50].[K+:43].[K+:44]>>[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]([CH3:22])[cH:21]1)[C:10]([CH3:24])([CH3:25])[CH2:9]2