Potassium Cation → [1-(5-[1,2,4]Triazol-1-yl-pyridin-2-yl)-cyclopropyl]-carbamic acid tert-butyl ester

HRID 1560459Notes

Reaction equation

HRID 1560459 reaction equation
[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([c:11]2[n:12][cH:13][c:14]([I:17])[cH:15][cH:16]2)[CH2:9][CH2:10]1)=[O:18].[CH3:32][NH:33][CH:34]1[CH2:35][CH2:36][CH2:37][CH2:38][CH:39]1[NH:40][CH3:41].[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cu:49][I:50].[K+:29].[K+:30].[K+:31].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55].[OH2:42].[P:24]([O-:25])([O-:26])([O-:27])=[O:28].[nH:19]1[n:20][cH:21][n:22][cH:23]1>>[C:1]([CH3:2])([CH3:3])([CH3:4])[O:5][C:6]([NH:7][C:8]1([c:11]2[n:12][cH:13][c:14](-[n:19]3[n:20][cH:21][n:22][cH:23]3)[cH:15][cH:16]2)[CH2:9][CH2:10]1)=[O:18]

Participants

10

Reactant 9

HCID 813Potassium Cation3×HCID 962WaterHCID 1061PhosphateHCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 92571H-1,2,4-TriazoleHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 5510741-N,2-N-dimethylcyclohexane-1,2-diamineHCID 58431130[1-(5-Iodo-pyridin-2-yl)-cyclopropyl]-carbamic acid tert-butyl ester

Product 1

HCID 68379238[1-(5-[1,2,4]Triazol-1-yl-pyridin-2-yl)-cyclopropyl]-carbamic acid tert-butyl ester

Sources & evidence

ORD record
ord-9b75ab600a1747dfa23e2b5e8ee196f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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