Potassium Cation → tert-butyl 2-(4-((5-(2-methoxybenzylcarbamoyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)piperidin-1-yl)ethyl(methyl)carbamate

HRID 1126748Notes

Reaction equation

HRID 1126748 reaction equation
[Br:35][CH2:36][CH2:37][N:38]([C:39]([O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])[CH3:46].[C:29](=[O:30])([O-:31])[O-:32].[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[cH:10][c:11]([C:21]([F:22])([F:23])[F:24])[n:12][n:13]2[CH2:14][CH:15]2[CH2:16][CH2:17][NH:18][CH2:19][CH2:20]2)[cH:25][cH:26][cH:27][cH:28]1.[K+:33].[K+:34].[O:59]=[CH:60][N:61]([CH3:62])[CH3:63].[OH:47][CH2:48][CH2:49][N:50]([CH3:51])[C:52](=[O:53])[O:54][C:55]([CH3:56])([CH3:57])[CH3:58]>>[CH3:1][O:2][c:3]1[c:4]([CH2:5][NH:6][C:7](=[O:8])[c:9]2[cH:10][c:11]([C:21]([F:22])([F:23])[F:24])[n:12][n:13]2[CH2:14][CH:15]2[CH2:16][CH2:17][N:18]([CH2:36][CH2:37][N:38]([C:39]([O:40][C:41]([CH3:42])([CH3:43])[CH3:44])=[O:45])[CH3:46])[CH2:19][CH2:20]2)[cH:25][cH:26][cH:27][cH:28]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 545700N-(tert-Butoxycarbonyl)-N-methyl-2-aminoethanolHCID 53743212HCID 53743212, compoundHCID 59843153N-(2-methoxybenzyl)-1-(piperidin-4-ylmethyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide

Product 1

HCID 59843155tert-butyl 2-(4-((5-(2-methoxybenzylcarbamoyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)methyl)piperidin-1-yl)ethyl(methyl)carbamate

Sources & evidence

ORD record
ord-e483e430d4e84118be3b9dad0253e730
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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