Ammonium → 6-[(4-tert-Butylphenyl)(hydroxy)methyl]-5-(4-fluorophenyl)-7-isopropylspiro[chromen-2,1'-cyclo-butan]-4(3H)-one

HRID 122282Notes

Reaction equation

HRID 122282 reaction equation
[Br-:27].[C:28]([CH3:29])([CH3:30])([CH3:31])[c:32]1[cH:33][cH:34][c:35]([Mg+:38])[cH:36][cH:37]1.[Cl-:39].[ClH:46].[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.[NH4+:40].[O:41]1[CH2:42][CH2:43][CH2:44][CH2:45]1>>[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:35]2[cH:34][cH:33][c:32]([C:28]([CH3:29])([CH3:30])[CH3:31])[cH:37][cH:36]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 223AmmoniumHCID 259Bromide ionHCID 312ChlorideHCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 580030415-(4-Fluorophenyl)-7-isopropyl-4-oxo-3,4-dihydrospiro[chromen-2,1'-cyclobutane]-6-carbaldehydeHCID 178440988HCID 178440988, compound

Product 1

HCID 580029576-[(4-tert-Butylphenyl)(hydroxy)methyl]-5-(4-fluorophenyl)-7-isopropylspiro[chromen-2,1'-cyclo-butan]-4(3H)-one

Sources & evidence

ORD record
ord-669d032d19fd4ce6b4076f2b82d77e55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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