Bromide ion → 8-Cyclopropylmethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyrazine

HRID 290505Notes

Reaction equation

HRID 290505 reaction equation
[Br-:1].[C:47](=[O:48])([O-:49])[O-:50].[CH2:25]([Li:26])[CH2:27][CH2:28][CH3:29].[CH3:53][O:54][CH2:55][CH2:56][O:57][CH3:58].[CH:2]1([CH2:5][P+:6]([c:7]2[cH:8][cH:9][cH:10][cH:11][cH:12]2)([c:13]2[cH:14][cH:15][cH:16][cH:17][cH:18]2)[c:19]2[cH:20][cH:21][cH:22][cH:23][cH:24]2)[CH2:3][CH2:4]1.[Cl:30][c:31]1[c:32]2[n:33]([cH:34][cH:35][n:36]1)[cH:37][c:38](-[c:40]1[cH:41][cH:42][c:43]([F:46])[cH:44][cH:45]1)[n:39]2.[Na+:51].[Na+:52].[OH2:59]>>[CH:2]1([CH2:5][c:31]2[c:32]3[n:33]([cH:34][cH:35][n:36]2)[cH:37][c:38](-[c:40]2[cH:41][cH:42][c:43]([F:46])[cH:44][cH:45]2)[n:39]3)[CH2:3][CH2:4]1

Participants

9

Reactant 8

HCID 259Bromide ionHCID 923Sodium ion2×HCID 962WaterHCID 80711,2-DimethoxyethaneHCID 19660Carbonate IonHCID 3084209CID 3084209HCID 574387418-Chloro-2-(4-fluorophenyl)imidazo[1,2-A]pyrazineHCID 178418339Butyllithium

Product 1

HCID 574387698-Cyclopropylmethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyrazine

Sources & evidence

ORD record
ord-5c92c71f8cb048fc9b5b37753f67a903
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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