Acetone → HCID 67285070, compound

HRID 1212282Notes

Reaction equation

HRID 1212282 reaction equation
[Br:36][CH2:37][CH2:38][Br:39].[C:40](=[O:41])([O-:42])[O-:43].[CH3:46][C:47](=[O:48])[CH3:49].[K+:44].[K+:45].[OH:1][c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][c:8]2[n:9][c:10]([NH:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[cH:32][cH:33]3)[n:11][c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[n:13]2)[cH:34][cH:35]1>>[O:1]([c:2]1[cH:3][cH:4][c:5]([CH2:6][NH:7][c:8]2[n:9][c:10]([NH:20][c:21]3[cH:22][cH:23][c:24]([C:25](=[O:26])[O:27][C:28]([CH3:29])([CH3:30])[CH3:31])[cH:32][cH:33]3)[n:11][c:12]([O:14][CH2:15][C:16]([F:17])([F:18])[F:19])[n:13]2)[cH:34][cH:35]1)[CH2:38][CH2:37][Br:36]

Participants

6

Reactant 5

HCID 180AcetoneHCID 813Potassium Cation2×HCID 78391,2-DibromoethaneHCID 19660Carbonate IonHCID 58223050Tert-butyl 4-((4-((4-hydroxybenzyl)amino)-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-yl)amino)benzoate

Product 1

HCID 67285070HCID 67285070, compound

Sources & evidence

ORD record
ord-83a495dca40d47b596e6d333b3d67252
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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