HRID289889

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID702

Ethanol

C2H6O

HCID923

Sodium ion

Na+

HCID1140

Toluene

C7H8

HCID5975

Cyanide

CN-

HCID6344

Dichloromethane

CH2Cl2

HCID6395

Methanesulfonic acid

CH4O3S

HCID20508

Cyclohexaneethanol

C8H16O

HCID24648

Sulfuryl chloride

Cl2O2S

HCID28123

Tetrahydroborate

H4B-

HCID85570

Tosylate

C7H7O3S-

HCID316627

2-cyclohexylacetaldehyde

C8H14O

HCID656472

未命名化合物

HCID2758875

Trifluoromethanesulfonate

CF3O3S-

PRODUCTS

生成物

HCID10749242

3-cyclohexylpropanenitrile

C9H15N

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-11ef9acc813b4d76ba6644abc8c6c240
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-:19].[C-:54]#[N:55].[CH2:66]([OH:67])[CH3:68].[CH3:21][S:22]([OH:23])(=[O:24])=[O:25].[CH:10]1([CH2:11][CH2:12][OH:13])[CH2:14][CH2:15][CH2:16][CH2:17][CH2:18]1.[CH:1]1([CH2:7][CH:8]=[O:9])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1.[Cl:56][CH2:57][Cl:58].[Na+:20].[O-:26][S:27]([c:28]1[cH:29][cH:30][c:31]([CH3:32])[cH:33][cH:34]1)(=[O:35])=[O:36].[O-:37][S:38]([C:39]([F:40])([F:41])[F:42])(=[O:43])=[O:44].[S:45]([Cl:46])([Cl:47])(=[O:48])=[O:49].[SH:50](=[O:51])(=[O:52])[O-:53].[c:59]1([CH3:60])[cH:61][cH:62][cH:63][cH:64][cH:65]1>>[CH:1]1([CH2:7][CH2:8][C:54]#[N:55])[CH2:2][CH2:3][CH2:4][CH2:5][CH2:6]1