Chloride → 1-(3-Phenyl-cyclohex-3-enylmethyl)-4-pyridin-2-yl-piperazine

HRID 1228659Notes

Reaction equation

HRID 1228659 reaction equation
[Al+3:55].[Al+3:61].[CH:1]1([N:2]=[C:3]=[N:4][CH:5]2[CH2:6][CH2:7][CH2:8][CH2:9][CH2:10]2)[CH2:11][CH2:12][CH2:13][CH2:14][CH2:15]1.[Cl-:60].[Cl-:62].[Cl-:63].[Cl:66][CH2:67][Cl:68].[H-:54].[H-:57].[H-:58].[H-:59].[Li+:56].[Na+:65].[O:69]1[CH2:70][CH2:71][CH2:72][CH2:73]1.[OH-:64].[OH2:43].[OH2:74].[OH:44][c:45]1[c:46]2[n:47][n:48][nH:49][c:50]2[cH:51][cH:52][cH:53]1.[c:16]1([C:22]2=[CH:27][CH2:26][CH2:25][CH:24]([C:28]([OH:29])=[O:30])[CH2:23]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1.[n:31]1[c:32]([N:37]2[CH2:38][CH2:39][NH:40][CH2:41][CH2:42]2)[cH:33][cH:34][cH:35][cH:36]1>>[c:16]1([C:22]2=[CH:27][CH2:26][CH2:25][CH:24]([CH2:28][N:40]3[CH2:39][CH2:38][N:37]([c:32]4[n:31][cH:36][cH:35][cH:34][cH:33]4)[CH2:42][CH2:41]3)[CH2:23]2)[cH:17][cH:18][cH:19][cH:20][cH:21]1

Participants

14

Reactant 13

HCID 312Chloride3×HCID 923Sodium ionHCID 961HydroxideHCID 962Water2×HCID 6344DichloromethaneHCID 8028TetrahydrofuranHCID 10868DicyclohexylcarbodiimideHCID 28486Lithium ionHCID 944591-(2-Pyridyl)piperazineHCID 104727Aluminum Cation2×HCID 166653Hydride4×HCID 156418093-Phenyl 3 cyclohexenecarboxylic acidHCID 178418300HCID 178418300, compound

Product 1

HCID 97977331-(3-Phenyl-cyclohex-3-enylmethyl)-4-pyridin-2-yl-piperazine

Sources & evidence

ORD record
ord-47f378c9017146f18d5e6be657c7b98e
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

Loading…