Bromide ion → 5-(4-Fluorophenyl)-6-{hydroxy[4-(trifluoromethoxy)phenyl]methyl}-7-isopropylspiro[chromen-2,1'-cyclobutan]-4(3H)-one

HRID 1229504Notes

Reaction equation

HRID 1229504 reaction equation
[Br-:27].[C:40](=[O:41])([OH:42])[O-:43].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[c:14]([cH:15][c:16]([CH:20]([CH3:21])[CH3:22])[c:17]2[CH:18]=[O:19])[O:13][C:12]2([CH2:11][C:10]3=[O:26])[CH2:23][CH2:24][CH2:25]2)[cH:6][cH:7]1.[F:28][C:29]([O:30][c:31]1[cH:32][cH:33][c:34]([Mg+:37])[cH:35][cH:36]1)([F:38])[F:39].[Na+:44].[O:45]1[CH2:46][CH2:47][CH2:48][CH2:49]1.[OH2:50]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[c:14]([cH:15][c:16]([CH:20]([CH3:21])[CH3:22])[c:17]2[CH:18]([OH:19])[c:34]2[cH:33][cH:32][c:31]([O:30][C:29]([F:28])([F:38])[F:39])[cH:36][cH:35]2)[O:13][C:12]2([CH2:11][C:10]3=[O:26])[CH2:23][CH2:24][CH2:25]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 259Bromide ionHCID 769Bicarbonate IonHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 580030415-(4-Fluorophenyl)-7-isopropyl-4-oxo-3,4-dihydrospiro[chromen-2,1'-cyclobutane]-6-carbaldehydeHCID 178506385HCID 178506385, compound

Product 1

HCID 580029385-(4-Fluorophenyl)-6-{hydroxy[4-(trifluoromethoxy)phenyl]methyl}-7-isopropylspiro[chromen-2,1'-cyclobutan]-4(3H)-one

Sources & evidence

ORD record
ord-306b53b5477c4c6d9c2699d8ebe8d94a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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