Acetone → HCID 46940553, compound

HRID 1144166Notes

Reaction equation

HRID 1144166 reaction equation
[Br:24][CH2:25][c:26]1[cH:27][cH:28][c:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:35][cH:36]1.[C:39](=[O:40])([O-:41])[O-:42].[CH3:45][C:46](=[O:47])[CH3:48].[Cl:1][c:2]1[cH:3][c:4]([OH:23])[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([c:14]1[n:15][cH:16][c:17]([CH3:20])[n:18][cH:19]1)[OH:21])[CH3:22].[I-:38].[K+:37].[K+:43].[K+:44]>>[Cl:1][c:2]1[cH:3][c:4]([O:23][CH2:25][c:26]2[cH:27][cH:28][c:29]([C:30](=[O:31])[O:32][CH2:33][CH3:34])[cH:35][cH:36]2)[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([c:14]1[n:15][cH:16][c:17]([CH3:20])[n:18][cH:19]1)[OH:21])[CH3:22]

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation3×HCID 19660Carbonate IonHCID 30165Iodide IonHCID 954261Ethyl 4-(bromomethyl)benzoateHCID 574212313-Chloro-4-[3,3,3-trifluoro-2-hydroxy-1-methyl-2-(5-methyl-pyrazin-2-yl)-propyl]-phenol

Product 1

HCID 46940553HCID 46940553, compound

Sources & evidence

ORD record
ord-e26e70aa90e148efbfe351275f129c55
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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