Potassium Cation → methyl 2-(acetylamino)-3-(4-{3-[(tert-butoxycarbonyl)amino]-1-methyl-1H-pyrazol-4-yl}phenyl)propanoate

HRID 2334996Notes

Reaction equation

HRID 2334996 reaction equation
[Br:32][c:33]1[c:34]([NH:39][C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[n:35][n:36]([CH3:38])[cH:37]1.[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([C:6](=[O:7])[O:8][CH3:9])[CH2:10][c:11]1[cH:12][cH:13][c:14]([B:17]2[O:18][C:19]([CH3:20])([CH3:21])[C:22]([CH3:23])([CH3:24])[O:25]2)[cH:15][cH:16]1.[C:26](=[O:27])([O-:28])[O-:29].[CH3:47][N:48]([CH3:49])[CH:50]=[O:51].[K+:30].[K+:31].[OH2:52]>>[C:1]([CH3:2])(=[O:3])[NH:4][CH:5]([C:6](=[O:7])[O:8][CH3:9])[CH2:10][c:11]1[cH:12][cH:13][c:14](-[c:33]2[c:34]([NH:39][C:40]([O:41][C:42]([CH3:43])([CH3:44])[CH3:45])=[O:46])[n:35][n:36]([CH3:38])[cH:37]2)[cH:15][cH:16]1

Participants

7

Reactant 6

HCID 813Potassium Cation2×HCID 962WaterHCID 6228DimethylformamideHCID 19660Carbonate IonHCID 66705669Methyl 2-(acetylamino)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]propanoateHCID 86637803tert-butyl (4-bromo-1-methyl-1H-pyrazol-3-yl)carbamate

Product 1

HCID 66705663methyl 2-(acetylamino)-3-(4-{3-[(tert-butoxycarbonyl)amino]-1-methyl-1H-pyrazol-4-yl}phenyl)propanoate

Sources & evidence

ORD record
ord-d6183668a2774a2f9b0fdc868ec4680a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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