Potassium Cation → HCID 58072477, compound

HRID 2319865Notes

Reaction equation

HRID 2319865 reaction equation
[CH2:29]1[CH2:30][C:31]12[O:32][C:33](=[O:36])[NH:34][CH2:35]2.[CH2:53]1[O:54][CH2:55][CH2:56][O:57][CH2:58]1.[CH3:59][CH2:60][O:61][C:62]([CH3:63])=[O:64].[Cu:65][I:66].[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11](-[c:18]3[cH:19][cH:20][n:21][n:22]3-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:12](=[O:17])[c:13]([O:15][CH3:16])[cH:14]2)[cH:4][cH:5][c:6]([I:8])[cH:7]1.[K+:50].[K+:51].[K+:52].[NH2:37][CH:38]1[CH2:39][CH2:40][CH2:41][CH2:42][CH:43]1[NH2:44].[P:45]([O-:46])([O-:47])([O-:48])=[O:49]>>[F:1][c:2]1[c:3](-[n:9]2[n:10][c:11](-[c:18]3[cH:19][cH:20][n:21][n:22]3-[c:23]3[cH:24][cH:25][cH:26][cH:27][cH:28]3)[c:12](=[O:17])[c:13]([O:15][CH3:16])[cH:14]2)[cH:4][cH:5][c:6]([N:34]2[C:33](=[O:36])[O:32][C:31]3([CH2:29][CH2:30]3)[CH2:35]2)[cH:7]1

Participants

9

Reactant 8

HCID 813Potassium Cation3×HCID 1061PhosphateHCID 46101,2-DiaminocyclohexaneHCID 8857Ethyl AcetateHCID 24350Copper(1+) iodide; Copper(I) iodide; Cuprous iodide; Cuprous iodide (CuI)HCID 312751,4-DioxaneHCID 55299073HCID 55299073, compoundHCID 594362141-(2-fluoro-4-iodophenyl)-5-methoxy-3-(1-phenyl-1H-pyrazol-5-yl)pyridazin-4(1H)-one

Product 1

HCID 58072477HCID 58072477, compound

Sources & evidence

ORD record
ord-1977a393a8e24473a118a00eacaf4003
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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