Methyl Ethyl Ketone → 5,5-dimethyl-1'-{[5-(trifluoromethyl)-2-furyl]methyl}-5,6-dihydrospiro[benzo[1,2-b:5,4-b']difuran-3,3'-indol]-2'(1'H)-one

HRID 666321Notes

Reaction equation

HRID 666321 reaction equation
[Br:24][CH2:25][c:26]1[o:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]1.[C:35](=[O:36])([O-:37])[O-:38].[CH3:1][C:2]1([CH3:23])[c:3]2[c:4]([cH:7][c:8]3[c:12]([cH:13]2)[C:11]2([CH2:10][O:9]3)[C:14](=[O:22])[NH:15][c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]32)[O:5][CH2:6]1.[CH3:41][C:42](=[O:43])[CH2:44][CH3:45].[Cs+:39].[Cs+:40]>>[CH3:1][C:2]1([CH3:23])[c:3]2[c:4]([cH:7][c:8]3[c:12]([cH:13]2)[C:11]2([CH2:10][O:9]3)[C:14](=[O:22])[N:15]([CH2:25][c:26]3[o:27][c:28]([C:31]([F:32])([F:33])[F:34])[cH:29][cH:30]3)[c:16]3[cH:17][cH:18][cH:19][cH:20][c:21]32)[O:5][CH2:6]1

Participants

6

Reactant 5

HCID 6569Methyl Ethyl KetoneHCID 19660Carbonate IonHCID 104967Cesium cation2×HCID 27946052-(Bromomethyl)-5-(trifluoromethyl)furanHCID 592634705,5-dimethyl-5,6-dihydrospiro[benzo[1,2-b:5,4-b']difuran-3,3'-indol]-2'(1H)-one

Product 1

HCID 592633415,5-dimethyl-1'-{[5-(trifluoromethyl)-2-furyl]methyl}-5,6-dihydrospiro[benzo[1,2-b:5,4-b']difuran-3,3'-indol]-2'(1'H)-one

Sources & evidence

ORD record
ord-6453a21d6d534df3a5fb0713e29b21f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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