HRID286016

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID1140

Toluene

C7H8

HCID5975

Cyanide

CN-

HCID6344

Dichloromethane

CH2Cl2

HCID114942

Titanium(4+)

Ti+4

HCID735900

1-Boc-4-piperidone

C10H17NO3

HCID3260420

未命名化合物

4 次

HCID10442525

1-Benzyl-2-methylpiperazine

C12H18N2

HCID16684507

未命名化合物

PRODUCTS

生成物

结构：CC1CN(C2(C#N)CCN(C(=O)OC(C)(C)C)CC2)CCN1Cc1ccccc1

HCID72490977

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-62ae258ff6a94e74af278d179a79c7fc
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

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