HRID1127830

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID313

Hydrochloric Acid

ClH

HCID923

Sodium ion

Na+

2 次

HCID961

Hydroxide

HO-

HCID1140

Toluene

C7H8

HCID6344

Dichloromethane

CH2Cl2

HCID6837

Diphenylacetonitrile

C14H11N

HCID7914

Isopropyl ether

C6H14O

HCID8471

Triethylamine

C6H15N

HCID11594

2-Methylheptane

C8H18

HCID31297

Methanesulfonyl chloride

CH3ClO2S

HCID98585

3-Azetidinol, 1-cyclohexyl-

C9H17NO

HCID166653

Hydride

H-

PRODUCTS

生成物

结构：N#CC(c1ccccc1)(c1ccccc1)C1CN(C2CCCCC2)C1

HCID12822284

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-46d59f6ba1bc408c9ad4e1c15ff3ebe8
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

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