Acetate → 2-[[5-amino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol

HRID 1571331Notes

Reaction equation

HRID 1571331 reaction equation
[CH3:33][C:34](=[O:35])[O-:36].[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[cH:11][c:12]([NH:19][CH:20]([CH2:21][OH:22])[c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]4)[n: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:37]>>[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[cH:11][c:12]([NH:19][CH:20]([CH2:21][OH:22])[c:23]4[cH:24][cH:25][c:26]([F:29])[cH:27][cH:28]4)[n:13][cH:14][c:15]3[NH2:16])[n:7][nH:8]2)[CH2:2][CH2:3]1

Participants

6

Reactant 5

HCID 175AcetateHCID 223Ammonium2×HCID 312ChlorideHCID 23994ZincHCID 665892092-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-5-nitro-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol

Product 1

HCID 665891552-[[5-amino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-pyridinyl]amino]-2-(4-fluorophenyl)ethanol

Sources & evidence

ORD record
ord-88fd6c2c413a4d29812f8b71db53ccc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

Loading…