Acetate → 2-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-fluoro-4-N-[1-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine

HRID 2129230Notes

Reaction equation

HRID 2129230 reaction equation
[CH2:39]1[O:40][CH2:41][CH2:42][CH2:43]1.[CH3:33][C:34](=[O:35])[O-:36].[CH3:37][OH:38].[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[c:11]([F:29])[c:12]([NH:19][CH:20]([CH3:21])[c:22]4[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]4)[cH:13][cH:14][c:15]3[N+:16]([O-:17])=[O:18])[n:7][nH:8]2)[CH2:2][CH2:3]1.[Cl-:30].[NH4+:31].[NH4+:32].[Zn:44]>>[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[c:11]([F:29])[c:12]([NH:19][CH:20]([CH3:21])[c:22]4[cH:23][cH:24][c:25]([F:28])[cH:26][cH:27]4)[cH:13][cH:14][c:15]3[NH2:16])[n:7][nH:8]2)[CH2:2][CH2:3]1

Participants

8

Reactant 7

HCID 175AcetateHCID 223Ammonium2×HCID 312ChlorideHCID 887MethanolHCID 8028TetrahydrofuranHCID 23994ZincHCID 77299978HCID 77299978, compound

Product 1

HCID 772999922-N-(5-cyclopropyl-1H-pyrazol-3-yl)-3-fluoro-4-N-[1-(4-fluorophenyl)ethyl]benzene-1,2,4-triamine

Sources & evidence

ORD record
ord-1fc8a2fd0bff487cb862dc25b52d239d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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