HRID1138635

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID259

Bromide

Br-

HCID679

Dimethyl sulfoxide

C2H6OS

HCID813

Potassium cation

K+

3 次

HCID8058

n-Hexane

C6H14

HCID8857

Ethyl acetate

C4H8O2

HCID16028

Tetrabutylammonium

C16H36N+

HCID19660

Carbonate

CO3-2

HCID30165

Iodide ion

I-

HCID11160027

2-bromo-1-cyclohexylethanone

C8H13BrO

结构：CC(C)(C)OC(=O)NC1CN(C2CCCCC2)c2ccccc2NC1=O

HCID15490833

未命名化合物

PRODUCTS

生成物

结构：CC(C)(C)OC(=O)NC1CN(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCCC2)C1=O

HCID21201638

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b75de3cbeb0a4a28a9df1a081f899e4a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[Br-:45].[Br:1][CH2:2][C:3](=[O:4])[CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1.[C:13](=[O:14])([O-:15])[O-:16].[CH2:46]([N+:47]([CH2:48][CH2:49][CH2:50][CH3:51])([CH2:52][CH2:53][CH2:54][CH3:55])[CH2:56][CH2:57][CH2:58][CH3:59])[CH2:60][CH2:61][CH3:62].[CH3:63][S:64]([CH3:65])=[O:66].[CH3:67][CH2:68][CH2:69][CH2:70][CH2:71][CH3:72].[CH3:73][CH2:74][O:75][C:76](=[O:77])[CH3:78].[I-:12].[K+:11].[K+:17].[K+:18].[O:19]=[C:20]1[CH:21]([NH:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:22][N:23]([CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[c:24]2[c:25]([cH:27][cH:28][cH:29][cH:30]2)[NH:26]1>>[CH2:2]([C:3](=[O:4])[CH:5]1[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]1)[N:26]1[C:20](=[O:19])[CH:21]([NH:37][C:38](=[O:39])[O:40][C:41]([CH3:42])([CH3:43])[CH3:44])[CH2:22][N:23]([CH:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[c:24]2[c:25]1[cH:27][cH:28][cH:29][cH:30]2