Bromide ion → Methyl 5-[3-(imidazol-1-yl)prop-1-en-1-yl]-2-(4-fluorophenethyl)benzoate

HRID 2151491Notes

Reaction equation

HRID 2151491 reaction equation
[Br-:9].[C:49](=[O:50])([O-:51])[O-:52].[Cl:55][CH2:56][Cl:57].[F:10][c:11]1[cH:12][cH:13][c:14]([CH2:15][CH2:16][c:17]2[c:18]([C:43](=[O:44])[O:45][CH3:46])[cH:19][c:20]([CH2:21][P+:22]([c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)([c:29]3[cH:30][cH:31][cH:32][cH:33][cH:34]3)[c:35]3[cH:36][cH:37][cH:38][cH:39][cH:40]3)[cH:41][cH:42]2)[cH:47][cH:48]1.[K+:53].[K+:54].[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:21][c:20]2[cH:19][c:18]([C:43](=[O:44])[O:45][CH3:46])[c:17]([CH2:16][CH2:15][c:14]3[cH:13][cH:12][c:11]([F:10])[cH:48][cH:47]3)[cH:42][cH:41]2)[cH:2][n:3][cH:4][cH:5]1

Participants

7

Reactant 6

HCID 259Bromide ionHCID 813Potassium Cation2×HCID 6344DichloromethaneHCID 19660Carbonate IonHCID 22088514[4-[2-(4-Fluorophenyl)ethyl]-3-methoxycarbonylphenyl]methyl-triphenylphosphaniumHCID 222385812-(1H-Imidazol-1-yl)acetaldehyde

Product 1

HCID 53807049Methyl 5-[3-(imidazol-1-yl)prop-1-en-1-yl]-2-(4-fluorophenethyl)benzoate

Sources & evidence

ORD record
ord-2d32636db16c48e4a7ed8fdb43a21204
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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