Potassium Cation → 5-(4-Chloro-phenyl)-3-ethynyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine

HRID 1236973Notes

Reaction equation

HRID 1236973 reaction equation
[C:40]([O:41][CH3:42])([CH3:43])([CH3:44])[CH3:45].[CH2:33]1[O:34][CH2:35][CH2:36][CH2:37]1.[CH3:38][OH:39].[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[n:18][cH:19][c:20]3[C:21]#[C:22][Si:23]([CH3:24])([CH3:25])[CH3:26])[cH:6][cH:7]1.[K+:27].[K+:28].[O-:29][C:30]([O-:31])=[O:32].[OH2:46]>>[Cl:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[n:9][c:10]3[n:11]([c:12]([C:14]([F:15])([F:16])[F:17])[cH:13]2)[n:18][cH:19][c:20]3[C:21]#[CH:22])[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 813Potassium Cation2×HCID 887MethanolHCID 962WaterHCID 8028TetrahydrofuranHCID 15413tert-Butyl methyl etherHCID 19660Carbonate IonHCID 670009455-(4-Chloro-phenyl)-7-trifluoromethyl-3-trimethylsilanylethynyl-pyrazolo[1,5-a]pyrimidine

Product 1

HCID 866079955-(4-Chloro-phenyl)-3-ethynyl-7-trifluoromethyl-pyrazolo[1,5-a]pyrimidine

Sources & evidence

ORD record
ord-3cc70d5c71f3453e812c556fb2a70f9f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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