1,2-Dichloroethane → Ethyl 4-cyano-4-(4-hydroxy-1-piperidyl)piperidine-1-carboxylate

HRID 104792Notes

Reaction equation

HRID 104792 reaction equation
[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

Participants

9

Reactant 8

HCID 111,2-DichloroethaneHCID 5975CyanideHCID 8857Ethyl AcetateHCID 34767Ethyl 4-oxo-1-piperidinecarboxylateHCID 79341Piperidin-4-olHCID 114942Titanium cation (4+)HCID 3260420Isopropanolate4×HCID 16684507Diethylalumanylium

Product 1

HCID 57619806Ethyl 4-cyano-4-(4-hydroxy-1-piperidyl)piperidine-1-carboxylate

Sources & evidence

ORD record
ord-b1500fa1c6494fbb921875c522bf05e3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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