Bicarbonate Ion → Tert-butyl 3-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine-1-carboxylate

HRID 169608Notes

Reaction equation

HRID 169608 reaction equation
[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH:11]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH:12]([OH:16])[CH2:13][CH2:14][CH2:15]1.[C:45](=[O:46])([O-:47])[OH:48].[CH3:23][S:24]([O:25][CH2:28][c:29]1[cH:30][c:31](-[n:39]2[n:40][n:41][n:42][c:43]2[CH3:44])[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]1)(=[O:26])=[O:27].[CH3:50][N:51]([CH3:52])[CH:53]=[O:54].[H-:1].[Na+:2].[Na+:49].[OH2:55]>>[C:3]([CH3:4])([CH3:5])([CH3:6])[O:7][C:8](=[O:9])[N:10]1[CH:11]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH:12]([O:16][CH2:28][c:29]2[cH:30][c:31](-[n:39]3[n:40][n:41][n:42][c:43]3[CH3:44])[cH:32][c:33]([C:35]([F:36])([F:37])[F:38])[cH:34]2)[CH2:13][CH2:14][CH2:15]1

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 962WaterHCID 6228DimethylformamideHCID 166653HydrideHCID 189421531-(Methanesulfonyloxymethyl)-3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)benzeneHCID 215840931-t-Butyloxycarbonyl-3-hydroxy-2-phenylpiperidine

Product 1

HCID 18942152Tert-butyl 3-[[3-(5-methyltetrazol-1-yl)-5-(trifluoromethyl)phenyl]methoxy]-2-phenylpiperidine-1-carboxylate

Sources & evidence

ORD record
ord-a7e0dc978eaa46d5871c90226e0e2cf2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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