Ammonium → 4-[4-(3-Amino-2-fluorophenyl)-2-(1,1-dimethylethyl)-1,3-thiazol-5-yl]-2-pyrimidinamine

HRID 285386Notes

Reaction equation

HRID 285386 reaction equation
[CH2:27]1[O:28][CH2:29][CH2:30][O:31][CH2:32]1.[Cl:1][c:2]1[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[c:18]([F:24])[c:19]([NH2:20])[cH:21][cH:22][cH:23]3)[n:10][c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[s:12]2)[n:7]1.[NH4+:26].[OH-:25].[OH2:33]>>[c:2]1([NH2:26])[n:3][cH:4][cH:5][c:6](-[c:8]2[c:9](-[c:17]3[c:18]([F:24])[c:19]([NH2:20])[cH:21][cH:22][cH:23]3)[n:10][c:11]([C:13]([CH3:14])([CH3:15])[CH3:16])[s:12]2)[n:7]1

Participants

6

Reactant 5

HCID 223AmmoniumHCID 961HydroxideHCID 962WaterHCID 312751,4-DioxaneHCID 579898453-(2-Tert-butyl-5-(2-chloropyrimidin-4-yl)thiazol-4-yl)-2-fluoroaniline

Product 1

HCID 579897094-[4-(3-Amino-2-fluorophenyl)-2-(1,1-dimethylethyl)-1,3-thiazol-5-yl]-2-pyrimidinamine

Sources & evidence

ORD record
ord-84b4772560454c139eb018e1175f7831
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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