Bicarbonate Ion → 1-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenyl-3-azabicyclo[3.1.0]hexane

HRID 189801Notes

Reaction equation

HRID 189801 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH:9]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[C:10]2([CH2:14][O:15][CH2:16][c:17]3[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]3)[CH2:11][CH:12]2[CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[C:46](=[O:47])([OH:48])[O-:49].[CH2:51]([Cl:52])[Cl:53].[Na+:45].[Na+:50].[OH-:44].[OH:37][C:38]([C:39]([F:40])([F:41])[F:42])=[O:43]>>[NH:8]1[CH:9]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[C:10]2([CH2:14][O:15][CH2:16][c:17]3[cH:18][c:19]([C:27]([F:28])([F:29])[F:30])[cH:20][c:21]([C:23]([F:24])([F:25])[F:26])[cH:22]3)[CH2:11][CH:12]2[CH2:13]1

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 961HydroxideHCID 6344DichloromethaneHCID 6422Trifluoroacetic acidHCID 866020451-(3,5-Bis-trifluoromethyl-benzyloxymethyl)-2-phenyl-3-aza-bicyclo[3.1.0]hexane-3-carboxylic acid tert-butyl ester

Product 1

HCID 729891001-[[3,5-Bis(trifluoromethyl)phenyl]methoxymethyl]-2-phenyl-3-azabicyclo[3.1.0]hexane

Sources & evidence

ORD record
ord-2ce7bd082ee0418689d5ed441f2e9c41
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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