HRID104792

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID11

1,2-Dichloroethane

C2H4Cl2

HCID5975

Cyanide

CN-

HCID8857

Ethyl acetate

C4H8O2

HCID34767

Ethyl 4-oxo-1-piperidinecarboxylate

C8H13NO3

HCID79341

Piperidin-4-ol

C5H11NO

HCID114942

Titanium(4+)

Ti+4

HCID3260420

未命名化合物

4 次

HCID16684507

未命名化合物

PRODUCTS

生成物

HCID57619806

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-b1500fa1c6494fbb921875c522bf05e3
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (2/10)

反应 SMILES

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