Potassium Cation → 2-[4-[(2-Chloro-4,4-difluoro-spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methyl-pyrazol-1-yl]pyridine-3-carbaldehyde

HRID 1152549Notes

Reaction equation

HRID 1152549 reaction equation
[Br:31][c:32]1[n:33][cH:34][cH:35][cH:36][c:37]1[CH:38]=[O:39].[C:25](=[O:26])([O-:27])[O-:28].[CH3:40][NH:41][CH:42]1[CH2:43][CH2:44][CH2:45][CH2:46][CH:47]1[NH:48][CH3:49].[CH3:50][CH2:51][O:52][C:53](=[O:54])[CH3:55].[CH3:58][c:59]1[cH:60][cH:61][cH:62][cH:63][cH:64]1.[Cl:1][c:2]1[cH:3][c:4]2[c:5]([s:24]1)[C:6]1([O:7][CH2:8][C:9]2([F:10])[F:11])[CH2:12][CH2:13][N:14]([CH2:17][c:18]2[c:19]([CH3:23])[n:20][nH:21][cH:22]2)[CH2:15][CH2:16]1.[Cu:56][I:57].[K+:29].[K+:30]>>[Cl:1][c:2]1[cH:3][c:4]2[c:5]([s:24]1)[C:6]1([O:7][CH2:8][C:9]2([F:10])[F:11])[CH2:12][CH2:13][N:14]([CH2:17][c:18]2[c:19]([CH3:23])[n:20][n:21](-[c:32]3[n:33][cH:34][cH:35][cH:36][c:37]3[CH:38]=[O:39])[cH:22]2)[CH2:15][CH2:16]1

Participants

9

Reactant 8

HCID 813Potassium Cation2×HCID 1140TolueneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 47149512-BromonicotinaldehydeHCID 178434546HCID 178434546, compound

Product 1

HCID 582685962-[4-[(2-Chloro-4,4-difluoro-spiro[5H-thieno[2,3-c]pyran-7,4'-piperidine]-1'-yl)methyl]-3-methyl-pyrazol-1-yl]pyridine-3-carbaldehyde

Sources & evidence

ORD record
ord-cbfeea7fc6be423d8bb9aff0628e0ef3
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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