Iodide Ion → N-ethyl-4-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)benzamide

HRID 106755

Reaction equation

HRID 106755 reaction equation
[C:19]([CH2:20][P+:21]([CH3:22])([CH3:23])[CH3:24])#[N:25].[CH2:35]([CH3:36])[NH:37][C:38]([c:39]1[cH:40][cH:41][c:42]([N:45]2[CH2:46][CH2:47][NH:48][CH2:49][CH2:50]2)[cH:43][cH:44]1)=[O:51].[CH:26]([N:27]([CH2:28][CH3:29])[CH:30]([CH3:31])[CH3:32])([CH3:33])[CH3:34].[I-:18].[OH:1][CH2:2][c:3]1[cH:4][c:5]2[c:10]([n:11][cH:12]1)[N:9]1[CH:8]([C:7](=[O:17])[NH:6]2)[CH2:16][CH2:15][CH2:14][CH2:13]1>>[CH2:2]([c:3]1[cH:4][c:5]2[c:10]([n:11][cH:12]1)[N:9]1[CH:8]([C:7](=[O:17])[NH:6]2)[CH2:16][CH2:15][CH2:14][CH2:13]1)[N:48]1[CH2:47][CH2:46][N:45]([c:42]2[cH:41][cH:40][c:39]([C:38]([NH:37][CH2:35][CH3:36])=[O:51])[cH:44][cH:43]2)[CH2:50][CH2:49]1

Participants

6

Reactant 5

HCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 28749590N-ethyl-4-(piperazin-1-yl)benzamideHCID 583244753-(hydroxymethyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-one

Product 1

HCID 58324389N-ethyl-4-(4-((6-oxo-6,6a,7,8,9,10-hexahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-3-yl)methyl)piperazin-1-yl)benzamide

Sources & evidence

ORD record
ord-b4c28e91398742a0b673499c771424b9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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