Ammonium → 2-[[5-amino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol

HRID 117191Notes

Reaction equation

HRID 117191 reaction equation
[CH2:36]1[O:37][CH2:38][CH2:39][CH2:40]1.[CH3:34][OH:35].[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[n:11][c:12]([NH:20][CH:21]([CH2:22][OH:23])[c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[n:13][c:14]([CH3:19])[c:15]3[N+:16]([O-:17])=[O:18])[n:7][nH:8]2)[CH2:2][CH2:3]1.[Cl-:31].[NH4+:32].[Zn:33]>>[CH:1]1([c:4]2[cH:5][c:6]([NH:9][c:10]3[n:11][c:12]([NH:20][CH:21]([CH2:22][OH:23])[c:24]4[cH:25][cH:26][c:27]([F:30])[cH:28][cH:29]4)[n:13][c:14]([CH3:19])[c:15]3[NH2:16])[n:7][nH:8]2)[CH2:2][CH2:3]1

Participants

7

Reactant 6

HCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 8028TetrahydrofuranHCID 23994ZincHCID 665892272-[[4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methyl-5-nitropyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol

Product 1

HCID 665892222-[[5-amino-4-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-6-methylpyrimidin-2-yl]amino]-2-(4-fluorophenyl)ethanol

Sources & evidence

ORD record
ord-b4678bf0d1944943a3b151a225b39c11
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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