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Ethanol → Ethyl 6-[4-[(9-oxo-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxylate

HRID 1239189
Notes
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Reaction equation

HRID 1239189 reaction equation
[C:19]([CH2:20][P+:21]([CH3:22])([CH3:23])[CH3:24])#[N:25].[C:52](#[N:53])[CH2:54][CH3:55].[CH2:26]([N:27]([CH:28]([CH3:29])[CH3:30])[CH:31]([CH3:32])[CH3:33])[CH3:34].[CH3:56][CH2:57][OH:58].[I-:18].[N:35]1([c:41]2[n:42][cH:43][c:44]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[cH:50][cH:51]2)[CH2:36][CH2:37][NH:38][CH2:39][CH2:40]1.[OH2:59].[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:38]1[CH2:37][CH2:36][N:35]([c:41]2[n:42][cH:43][c:44]([C:45](=[O:46])[O:47][CH2:48][CH3:49])[cH:50][cH:51]2)[CH2:40][CH2:39]1
ParticipantsSources & evidenceReaction notes

Participants

9

Reactant 8

HCID 702EthanolHCID 962WaterHCID 7854PropionitrileHCID 30165Iodide IonHCID 81531DiisopropylethylamineHCID 10514345Cyanomethyl(trimethyl)phosphaniumHCID 14987933Ethyl 6-(piperazin-1-yl)nicotinate
HCID 58324475
3-(hydroxymethyl)-7,8,9,10-tetrahydro-5H-dipyrido[1,2-a:3',2'-e]pyrazin-6(6aH)-one

Product 1

HCID 76760530Ethyl 6-[4-[(9-oxo-1,3,8-triazatricyclo[8.4.0.02,7]tetradeca-2(7),3,5-trien-5-yl)methyl]piperazin-1-yl]pyridine-3-carboxylate

Sources & evidence

ORD record
ord-6cd39d9ac8384b119ebf5bdd4235cfb9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes