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Ethanol → N-(2-((4-Fluoro-3-methylbenzyl)carbamoyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)-N,N',N'-trimethylethanediamide

HRID 193847
Notes
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Reaction equation

HRID 193847 reaction equation
[CH3:1][N:2]([CH3:3])[C:4]([C:5](=[O:6])[N:7]([C:8]12[c:9]3[n:10]([c:17](=[O:26])[c:18]([OH:25])[c:19]([C:21]([O:23][CH3:22])=[O:24])[n:20]3)[CH2:11][CH:12]([CH2:13][CH2:14]1)[CH2:15][CH2:16]2)[CH3:27])=[O:28].[CH3:39][CH2:40][OH:41].[F:29][c:30]1[c:31]([CH3:38])[cH:32][c:33]([CH2:36][NH2:37])[cH:34][cH:35]1>>[CH3:1][N:2]([CH3:3])[C:4]([C:5](=[O:6])[N:7]([C:8]12[c:9]3[n:10]([c:17](=[O:26])[c:18]([OH:25])[c:19]([C:21](=[O:23])[NH:37][CH2:36][c:33]4[cH:32][c:31]([CH3:38])[c:30]([F:29])[cH:35][cH:34]4)[n:20]3)[CH2:11][CH:12]([CH2:13][CH2:14]1)[CH2:15][CH2:16]2)[CH3:27])=[O:28]
ParticipantsSources & evidenceReaction notes

Participants

4

Reactant 3

HCID 702EthanolHCID 2774599(4-Fluoro-3-methylphenyl)methanamineHCID 57905168Methyl 10-(((dimethylamino)(oxo)acetyl)(methyl)amino)-3-hydroxy-4-oxo-4,6,7,8,9,10-hexahydro-7,10-ethanopyrimido[1,2-a]azepine-2-carboxylate

Product 1

HCID 54747151N-(2-((4-Fluoro-3-methylbenzyl)carbamoyl)-3-hydroxy-4-oxo-6,7,8,9-tetrahydro-7,10-ethanopyrimido[1,2-a]azepin-10(4H)-yl)-N,N',N'-trimethylethanediamide

Sources & evidence

ORD record
ord-18a504e47fab43f0a853b46628f7b586
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes