Bicarbonate Ion → tert-butyl methyl(2-(4-(5-(2-(trifluoromethoxy)benzylcarbamoyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)piperidin-1-yl)ethyl)carbamate

HRID 1122360Notes

Reaction equation

HRID 1122360 reaction equation
[C:18]([CH3:19])([CH3:20])([CH3:21])[O:22][C:23](=[O:24])[N:25]([CH2:26][CH2:27][N:28]1[CH2:29][CH2:30][CH:31]([n:34]2[n:35][c:36]([C:44]([F:45])([F:46])[F:47])[cH:37][c:38]2[C:39](=[O:40])[O:41][CH2:42][CH3:43])[CH2:32][CH2:33]1)[CH3:48].[CH3:14][Al:15]([CH3:16])[CH3:17].[CH3:54][c:55]1[cH:56][cH:57][cH:58][cH:59][cH:60]1.[F:1][C:2]([O:3][c:4]1[c:5]([CH2:6][NH2:7])[cH:8][cH:9][cH:10][cH:11]1)([F:12])[F:13].[Na+:53].[O-:49][C:50]([OH:51])=[O:52]>>[F:1][C:2]([O:3][c:4]1[c:5]([CH2:6][NH:7][C:39]([c:38]2[n:34]([CH:31]3[CH2:30][CH2:29][N:28]([CH2:27][CH2:26][N:25]([C:23]([O:22][C:18]([CH3:19])([CH3:20])[CH3:21])=[O:24])[CH3:48])[CH2:33][CH2:32]3)[n:35][c:36]([C:44]([F:45])([F:46])[F:47])[cH:37]2)=[O:40])[cH:8][cH:9][cH:10][cH:11]1)([F:12])[F:13]

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 1140TolueneHCID 2777251(2-(Trifluoromethoxy)phenyl)methanamineHCID 16682925TrimethylaluminumHCID 59843232ethyl 1-(1-(2-(tert-butoxycarbonyl(methyl)amino)ethyl)piperidin-4-yl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxylate

Product 1

HCID 59843247tert-butyl methyl(2-(4-(5-(2-(trifluoromethoxy)benzylcarbamoyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)piperidin-1-yl)ethyl)carbamate

Sources & evidence

ORD record
ord-e281c2cea8f141afa1ea14a322e8db0a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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