HRID183846

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID5281

Octadecanoic acid

C18H36O2

HCID6344

Dichloromethane

CH2Cl2

HCID8471

Triethylamine

C6H15N

HCID16249

2,2-Dimethyl-1,3-dioxane-4,6-dione

C6H8O4

HCID76257

Diethylphosphorocyanidate

C5H10NO3P

PRODUCTS

生成物

HCID84502

Methyl 3-oxoicosanoate

C21H40O3

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-3165dcb790084f54b5d0bd5467961f0a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (6/10)

反应 SMILES

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