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

HRID 1543105Notes

Reaction equation

HRID 1543105 reaction equation
[CH2:38]([N:39]([S:40]([F:41])([F:42])[F:44])[CH2:43][CH3:45])[CH3:46].[CH3:48][c:49]1[cH:50][cH:51][cH:52][cH:53][cH:54]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:31]([CH3:32])[CH3:33])[c:17]2[CH:18]([c:19]2[cH:20][cH:21][c:22]([O:25][C:26]([F:27])([F:28])[F:29])[cH:23][cH:24]2)[OH:30])[O:13][C:12]2([CH2:11][C:10]3=[O:37])[CH2:34][CH2:35][CH2:36]2)[cH:6][cH:7]1.[OH2:47]>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]3[c:14]([cH:15][c:16]([CH:31]([CH3:32])[CH3:33])[c:17]2[CH:18]([c:19]2[cH:20][cH:21][c:22]([O:25][C:26]([F:27])([F:28])[F:29])[cH:23][cH:24]2)[F:44])[O:13][C:12]2([CH2:11][C:10]3=[O:37])[CH2:34][CH2:35][CH2:36]2)[cH:6][cH:7]1

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 123472(Diethylamino)sulfur trifluorideHCID 580029385-(4-Fluorophenyl)-6-{hydroxy[4-(trifluoromethoxy)phenyl]methyl}-7-isopropylspiro[chromen-2,1'-cyclobutan]-4(3H)-one

Product 1

HCID 580029745-(4-Fluorophenyl)-6-{fluoro[4-(trifluoromethoxy)phenyl]methyl}-7-isopropylspiro[chromen-2,1'-cyclobutan]-4(3H)-one

Sources & evidence

ORD record
ord-b8eb900ca27f4e0994c5e6811605658b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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