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Hydrochloric Acid → 3-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-one

HRID 152606
Notes
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Reaction equation

HRID 152606 reaction equation
[C:19]([CH2:20][P+:21]([CH3:22])([CH3:23])[CH3:24])#[N:25].[C:49](#[N:50])[CH2:51][CH3:52].[CH2:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH:31]([CH3:32])[CH3:33])[CH3:34].[CH3:53][CH2:54][OH:55].[Cl:36][c:37]1[cH:38][cH:39][c:40]([N:43]2[CH2:44][CH2:45][NH:46][CH2:47][CH2:48]2)[cH:41][cH:42]1.[ClH:35].[I-:18].[OH2:56].[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:46]1[CH2:45][CH2:44][N:43]([c:40]2[cH:39][cH:38][c:37]([Cl:36])[cH:42][cH:41]2)[CH2:48][CH2:47]1
ParticipantsSources & evidenceReaction notes

Participants

10

Reactant 9

HCID 313Hydrochloric AcidHCID 702EthanolHCID 962WaterHCID 7854PropionitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 974781-(4-Chlorophenyl)piperazine
HCID 10514345
Cyanomethyl(trimethyl)phosphanium
HCID 583244753-(hydroxymethyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-one

Product 1

HCID 468643663-((4-(4-chlorophenyl)piperazin-1-yl)methyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-one

Sources & evidence

ORD record
ord-e9e4372257b549b087a871829ce5a941
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes