Bromide ion → Methyl 4-[3-(imidazol-1-yl)prop-1-en-1-yl]-2-(4-fluorophenyl)benzoate

HRID 148616Notes

Reaction equation

HRID 148616 reaction equation
[Br-:9].[C:47](=[O:48])([O-:49])[O-:50].[CH2:53]1[O:54][CH2:55][CH2:56][CH2:57]1.[F:10][c:11]1[cH:12][cH:13][c:14](-[c:17]2[cH:18][c:19]([CH2:20][P+:21]([c:22]3[cH:23][cH:24][cH:25][cH:26][cH:27]3)([c:28]3[cH:29][cH:30][cH:31][cH:32][cH:33]3)[c:34]3[cH:35][cH:36][cH:37][cH:38][cH:39]3)[cH:40][cH:41][c:42]2[C:43](=[O:44])[O:45][CH3:46])[cH:15][cH:16]1.[K+:51].[K+:52].[n:1]1([CH2:6][CH:7]=[O:8])[cH:2][n:3][cH:4][cH:5]1>>[n:1]1([CH2:6][CH:7]=[CH:20][c:19]2[cH:18][c:17](-[c:14]3[cH:13][cH:12][c:11]([F:10])[cH:16][cH:15]3)[c:42]([C:43](=[O:44])[O:45][CH3:46])[cH:41][cH:40]2)[cH:2][n:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 259Bromide ionHCID 813Potassium Cation2×HCID 8028TetrahydrofuranHCID 19660Carbonate IonHCID 22088517[3-(4-Fluorophenyl)-4-methoxycarbonylphenyl]methyl-triphenylphosphaniumHCID 222385812-(1H-Imidazol-1-yl)acetaldehyde

Product 1

HCID 54479740Methyl 4-[3-(imidazol-1-yl)prop-1-en-1-yl]-2-(4-fluorophenyl)benzoate

Sources & evidence

ORD record
ord-7d389c6ba1424115b95807a8d76747d4
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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