Potassium Cation → 6'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine

HRID 1121867Notes

Reaction equation

HRID 1121867 reaction equation
[Br:1][c:2]1[cH:3][cH:4][c:5]2[c:16]([cH:17]1)[C:15]1([C:7]3([CH2:6]2)[CH2:8][CH2:9][C:10]([F:13])([F:14])[CH2:11][CH2:12]3)[N:18]=[C:19]([CH3:23])[C:20]([NH2:22])=[N:21]1.[CH3:41][CH:42]1[CH2:43][CH2:44][CH2:45][O:46]1.[Cl:24][c:25]1[cH:26][c:27]([B:31]([OH:32])[OH:33])[cH:28][n:29][cH:30]1.[K+:34].[K+:35].[O-:36][C:37]([O-:38])=[O:39].[OH2:40]>>[c:2]1(-[c:27]2[cH:26][c:25]([Cl:24])[cH:30][n:29][cH:28]2)[cH:3][cH:4][c:5]2[c:16]([cH:17]1)[C:15]1([C:7]3([CH2:6]2)[CH2:8][CH2:9][C:10]([F:13])([F:14])[CH2:11][CH2:12]3)[N:18]=[C:19]([CH3:23])[C:20]([NH2:22])=[N:21]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 73012-MethyltetrahydrofuranHCID 19660Carbonate IonHCID 201118775-Chloropyridine-3-boronic acidHCID 573858836'-Bromo-4,4-difluoro-5''-methyl-3'H-dispiro[cyclohexane-1,2'-indene-1',2''-imidazol]-4''-amine

Product 1

HCID 573861496'-(5-Chloropyridin-3-yl)-4,4-difluoro-5''-methyl-3'H-dispiro[cyclo hexane-1,2'-indene-1',2''-imidazol]-4''-amine

Sources & evidence

ORD record
ord-6111ac4c21554419813cf58b4ff097f7
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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