HRID2145838

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID923

Sodium ion

Na+

HCID6228

N,N-Dimethylformamide

C3H7NO

HCID6340

Ethane, iodo-

C2H5I

HCID31275

1,4-Dioxane

C4H8O2

HCID166653

Hydride

H-

结构：CC1(CNC(=O)C(F)(F)F)CN(C(c2ccccc2)c2ccccc2)C1

HCID10473816

N-[[1-(Diphenylmethyl)-3-methyl-3-azetidinyl]methyl]-2,2,2-trifluoroacetamide

C20H21F3N2O

PRODUCTS

生成物

结构：CCN(CC1(C)CN(C(c2ccccc2)c2ccccc2)C1)C(=O)C(F)(F)F

HCID10045904

N-[[1-(Diphenylmethyl)-3-methyl-3-azetidinyl]methyl]-N-ethyl-2,2,2-trifluoroacetamide

C22H25F3N2O

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-65fa74e3b1344771b452e9653363ef5a
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[CH2:29]([CH3:30])[I:31].[CH3:38][N:39]([CH3:40])[CH:41]=[O:42].[H-:1].[Na+:2].[O:32]1[CH2:33][CH2:34][O:35][CH2:36][CH2:37]1.[c:3]1([CH:9]([N:10]2[CH2:11][C:12]([CH2:14][NH:15][C:16]([C:17]([F:18])([F:19])[F:20])=[O:21])([CH3:22])[CH2:13]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:4][cH:5][cH:6][cH:7][cH:8]1>>[c:3]1([CH:9]([N:10]2[CH2:11][C:12]([CH2:14][N:15]([C:16]([C:17]([F:18])([F:19])[F:20])=[O:21])[CH2:29][CH3:30])([CH3:22])[CH2:13]2)[c:23]2[cH:24][cH:25][cH:26][cH:27][cH:28]2)[cH:4][cH:5][cH:6][cH:7][cH:8]1