Sodium ion → N-[3-(5-thiazolyl)phenyl]-4-(trifluoromethyl)-2-Pyrimidinamine

HRID 1221675Notes

Reaction equation

[Br:32][c:33]1[cH:34][n:35][cH:36][s:37]1.[CH2:27]1[O:28][CH2:29][CH2:30][CH2:31]1.[CH3:1][C:2]1([CH3:3])[C:4]([CH3:5])([CH3:6])[O:7][B:8]([c:9]2[cH:10][c:11]([NH:15][c:16]3[n:17][cH:18][cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[n:21]3)[cH:12][cH:13][cH:14]2)[O:26]1.[CH3:45][CH2:46][O:47][C:48]([CH3:49])=[O:50].[Na+:38].[Na+:39].[O-:40][C:41](=[O:42])[O-:43].[OH2:44]>>[c:9]1(-[c:33]2[cH:34][n:35][cH:36][s:37]2)[cH:10][c:11]([NH:15][c:16]2[n:17][cH:18][cH:19][c:20]([C:22]([F:23])([F:24])[F:25])[n:21]2)[cH:12][cH:13][cH:14]1

Participants

Reactant 7

HCID 923Sodium ion2×

HCID 962Water

HCID 8028Tetrahydrofuran

HCID 8857Ethyl Acetate

HCID 19660Carbonate Ion

HCID 5460595-Bromothiazole

HCID 58456307N-(3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)-4-(trifluoromethyl)pyrimidin-2-amine

Product 1

HCID 58456203N-[3-(5-thiazolyl)phenyl]-4-(trifluoromethyl)-2-Pyrimidinamine

Sources & evidence

ORD record: ord-3e0ccc0a762842c48d64df88d0acad95
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (5/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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