HRID2343725

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID176

Acetic Acid

C2H4O2

HCID259

Bromide

Br-

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

结构：O=C(O)CCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1

HCID161237

未命名化合物

HCID166653

Hydride

H-

HCID24820328

tert-Butyl methyl(4-oxocyclohexyl)carbamate

C12H21NO3

PRODUCTS

生成物

结构：CN(C(=O)OC(C)(C)C)C1CCC(=CCCCC(=O)O)CC1

HCID22567682

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b6f04bbdbf6644639c8beaec2e97a6e6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (10/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (10/10)

反应 SMILES

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