Bromide ion → Bromide ion

HRID 105390

Reaction equation

HRID 105390 reaction equation
[Br-:27].[C:20](=[O:21])([O-:22])[O-:23].[CH:28]([OH:29])([CH3:30])[CH3:31].[Cl:13][CH2:14][CH2:15][CH2:16][CH2:17][Cl:18].[K+:26].[Na+:24].[Na+:25].[OH2:19].[n:1]1[c:2]([N:7]2[CH2:8][CH2:9][NH:10][CH2:11][CH2:12]2)[n:3][cH:4][cH:5][cH:6]1>>[Br-:27].[n:1]1[c:2]([N:7]2[CH2:8][CH2:9][N+:10]3([CH2:11][CH2:12]2)[CH2:14][CH2:15][CH2:16][CH2:17]3)[n:3][cH:4][cH:5][cH:6]1

Participants

10

Reactant 8

HCID 259Bromide ionHCID 813Potassium CationHCID 923Sodium ion2×HCID 962WaterHCID 3776IsopropanolHCID 80591,4-DichlorobutaneHCID 19660Carbonate IonHCID 887471-(2-Pyrimidinyl)piperazine

Product 2

HCID 259Bromide ionHCID 6575068-(2-Pyrimidinyl)-8-aza-5-azoniaspiro(4.5)decane

Sources & evidence

ORD record
ord-1df7fe9d50f6458b98bc68e1837930b5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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