Hydrochloric Acid → 2-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-1-[4-(4-{5-[2-(prop-2-yn-1-yloxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl}-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

HRID 2319750Notes

Reaction equation

HRID 2319750 reaction equation
[Br:46][CH2:47][C:48]#[CH:49].[C:38](=[O:39])([O-:40])[O-:41].[ClH:50].[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]([OH:36])[cH:32][cH:33][cH:34][cH:35]5)[CH2:29]4)[n:24]3)[CH2:18][CH2:19]2)[c:6]([CH:8]([F:9])[F:10])[cH:7]1)[F:37].[I-:45].[K+:42].[K+:43].[K+:44].[O:51]=[CH:52][N:53]([CH3:54])[CH3:55]>>[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]([O:36][CH2:49][C:48]#[CH:47])[cH:32][cH:33][cH:34][cH:35]5)[CH2:29]4)[n:24]3)[CH2:18][CH2:19]2)[c:6]([CH:8]([F:9])[F:10])[cH:7]1)[F:37]

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 813Potassium Cation3×HCID 6228DimethylformamideHCID 7842Propargyl bromideHCID 19660Carbonate IonHCID 30165Iodide IonHCID 665846872-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-1-(4-{4-[5-(2-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-3-yl]-1,3-thiazol-2-yl}piperidin-1-yl)ethanone

Product 1

HCID 866575682-[3,5-bis(difluoromethyl)-1H-pyrazol-1-yl]-1-[4-(4-{5-[2-(prop-2-yn-1-yloxy)phenyl]-4,5-dihydro-1,2-oxazol-3-yl}-1,3-thiazol-2-yl)piperidin-1-yl]ethanone

Sources & evidence

ORD record
ord-f40080a5fbd64bb59c732860b12803de
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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