Acetone → HCID 67240567, compound

HRID 1231604Notes

Reaction equation

HRID 1231604 reaction equation
[C:39](=[O:40])([O-:41])[O-:42].[CH2:45]([CH:46]=[CH2:47])[Br:48].[CH3:50][C:51](=[O:52])[CH3:53].[F:1][CH:2]([c:3]1[n:4][n:5]([CH2:11][C:12](=[O:13])[N:14]2[CH2:15][CH2:16][CH:17]([c:20]3[s:21][cH:22][c:23]([C:25]4=[N:26][O:27][CH:28]([c:30]5[c:31]([Cl:37])[cH:32][cH:33][cH:34][c:35]5[OH:36])[CH2:29]4)[n:24]3)[CH2:18][CH2:19]2)[c:6]([CH:8]([F:9])[F:10])[cH:7]1)[F:38].[K+:43].[K+:44].[OH2:49]>>[F:1][CH:2]([c:3]1[n:4][n:5]([CH2:11][C:12](=[O:13])[N:14]2[CH2:15][CH2:16][CH:17]([c:20]3[s:21][cH:22][c:23]([C:25]4=[N:26][O:27][CH:28]([c:30]5[c:31]([Cl:37])[cH:32][cH:33][cH:34][c:35]5[O:36][CH2:47][CH:46]=[CH2:45])[CH2:29]4)[n:24]3)[CH2:18][CH2:19]2)[c:6]([CH:8]([F:9])[F:10])[cH:7]1)[F:38]

Participants

7

Reactant 6

HCID 180AcetoneHCID 813Potassium Cation2×HCID 962WaterHCID 7841Allyl bromideHCID 19660Carbonate IonHCID 672424232-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-1-(4-{4-[5-(2-chloro-6-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)ethanone

Product 1

HCID 67240567HCID 67240567, compound

Sources & evidence

ORD record
ord-c9221e9930b94644ba5f83c216b06871
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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