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

HRID 1557728Notes

Reaction equation

HRID 1557728 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([c:12]2[c:13](-[c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[c:14]3[c:19]([cH:20][c:21]2[CH:22]([CH3:23])[CH3:24])[O:18][C:17]2([CH2:16][C:15]3=[O:28])[CH2:25][CH2:26][CH2:27]2)[OH:36])[cH:9][cH:10]1.[CH2:37]([N:38]([S:39]([F:40])([F:41])[F:43])[CH2:42][CH3:44])[CH3:45].[CH3:47][c:48]1[cH:49][cH:50][cH:51][cH:52][cH:53]1.[OH2:46]>>[C:1]([CH3:2])([CH3:3])([CH3:4])[c:5]1[cH:6][cH:7][c:8]([CH:11]([c:12]2[c:13](-[c:29]3[cH:30][cH:31][c:32]([F:35])[cH:33][cH:34]3)[c:14]3[c:19]([cH:20][c:21]2[CH:22]([CH3:23])[CH3:24])[O:18][C:17]2([CH2:16][C:15]3=[O:28])[CH2:25][CH2:26][CH2:27]2)[F:43])[cH:9][cH:10]1

Participants

5

Reactant 4

HCID 962WaterHCID 1140TolueneHCID 123472(Diethylamino)sulfur trifluorideHCID 580029576-[(4-tert-Butylphenyl)(hydroxy)methyl]-5-(4-fluorophenyl)-7-isopropylspiro[chromen-2,1'-cyclo-butan]-4(3H)-one

Product 1

HCID 580030226-[(4-tert-Butylphenyl)(fluoro)methyl]-5-(4-fluorophenyl)-7-isopropylspiro[chromen-2,1'-cyclo-butan]-4(3H)-one

Sources & evidence

ORD record
ord-343cf598f5444aa7b632e014937336a9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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