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Potassium Cation → 1-pyrimidin-2-yl-1,4-diazepane

HRID 118403
Notes
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Reaction equation

HRID 118403 reaction equation
[C:15](=[O:16])([O-:17])[O-:18].[CH3:23][C:24]#[N:25].[Cl:8][c:9]1[n:10][cH:11][cH:12][cH:13][n:14]1.[I-:22].[K+:19].[K+:20].[K+:21].[NH:1]1[CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1>>[N:1]1([c:9]2[n:10][cH:11][cH:12][cH:13][n:14]2)[CH2:2][CH2:3][NH:4][CH2:5][CH2:6][CH2:7]1
ParticipantsSources & evidenceReaction notes

Participants

7

Reactant 6

HCID 813Potassium Cation3×HCID 6342AcetonitrileHCID 19660Carbonate IonHCID 30165Iodide IonHCID 68163Hexahydro-1,4-diazepineHCID 744042-Chloropyrimidine

Product 1

HCID 27724091-pyrimidin-2-yl-1,4-diazepane

Sources & evidence

ORD record
ord-ff139973afb149d9a832db3c38e07a45
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
DOI
10.1039/C8SC04228D

Reaction notes

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On this pageParticipantsSources & evidenceReaction notes