Acetate → 4-((5-ethyl-2-fluorophenyl)(1-phenyl-1H-pyrazol-3-yl)methylamino)benzonitrile

HRID 678928Notes

Reaction equation

HRID 678928 reaction equation
[C:49]([O-:50])(=[O:51])[CH3:52].[C:54]([O-:55])(=[O:56])[CH3:57].[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([F:24])[c:7]([N:9]([c:10]2[cH:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]2)[CH2:18][c:19]2[n:20][nH:21][cH:22][cH:23]2)[cH:8]1.[CH3:43][CH2:44][O:45][C:46]([CH3:47])=[O:48].[Cl:40][CH2:41][Cl:42].[Cu+2:53].[c:31]1([B:37]([OH:38])[OH:39])[cH:32][cH:33][cH:34][cH:35][cH:36]1.[cH:25]1[cH:26][cH:27][n:28][cH:29][cH:30]1>>[CH2:1]([CH3:2])[c:3]1[cH:4][cH:5][c:6]([F:24])[c:7]([N:9]([c:10]2[cH:11][cH:12][c:13]([C:14]#[N:15])[cH:16][cH:17]2)[CH2:18][c:19]2[n:20][n:21](-[c:31]3[cH:32][cH:33][cH:34][cH:35][cH:36]3)[cH:22][cH:23]2)[cH:8]1

Participants

8

Reactant 7

HCID 175Acetate2×HCID 1049PyridineHCID 6344DichloromethaneHCID 8857Ethyl AcetateHCID 27099Cupric cationHCID 66827Phenylboronic AcidHCID 178436485HCID 178436485, compound

Product 1

HCID 688126114-((5-ethyl-2-fluorophenyl)(1-phenyl-1H-pyrazol-3-yl)methylamino)benzonitrile

Sources & evidence

ORD record
ord-5b52847d9b2e461c950c29d75e58572a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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