HRID315251

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID312

Chloride

Cl-

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID962

Water

H2O

HCID8900

Heptane

C7H16

HCID15413

Methyl tert-butyl ether

C5H12O

HCID21219

N-methyl-N,N-dioctyloctan-1-aminium

C25H54N+

HCID28123

Tetrahydroborate

H4B-

HCID11858685

Tert-butyl 1-chloro-2-fluoro-cyclopropane-1-carboxylate

C8H12ClFO2

PRODUCTS

生成物

HCID11819326

Tert-butyl 2-fluoro-cyclopropane-1-carboxylate

C8H13FO2

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-9b0eadf8148b46caa818b437521565fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (8/10)

反应 SMILES

[BH4-:13].[C:52]([O:53][CH3:54])([CH3:55])([CH3:56])[CH3:57].[CH2:19]([N+:20]([CH2:21][CH2:22][CH2:23][CH2:24][CH2:25][CH2:26][CH2:27][CH3:28])([CH2:29][CH2:30][CH2:31][CH2:32][CH2:33][CH2:34][CH2:35][CH3:36])[CH3:37])[CH2:38][CH2:39][CH2:40][CH2:41][CH2:42][CH2:43][CH3:44].[CH3:45][CH2:46][CH2:47][CH2:48][CH2:49][CH2:50][CH3:51].[Cl-:18].[Cl:1][C:2]1([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH:3]([F:5])[CH2:4]1.[Na+:14].[Na+:16].[OH-:15].[OH2:17]>>[CH:2]1([C:6](=[O:7])[O:8][C:9]([CH3:10])([CH3:11])[CH3:12])[CH:3]([F:5])[CH2:4]1