Bicarbonate Ion → 3-benzyl-N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-3-azabicyclo[3.1.0]hexane-1-carboxamide

HRID 94324Notes

Reaction equation

HRID 94324 reaction equation
[C:48](=[O:49])([OH:50])[O-:51].[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[C:10]2([C:14](=[O:15])[Cl:16])[CH2:11][CH:12]2[CH2:13]1.[CH3:23][CH2:24][N:25]([CH2:26][CH3:27])[CH2:28][CH3:29].[F:30][C:31]([c:32]1[cH:33][c:34]([CH:42]([CH3:43])[NH:44][CH3:45])[cH:35][c:36]([C:38]([F:39])([F:40])[F:41])[cH:37]1)([F:46])[F:47].[Na+:52]>>[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH:9]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[C:10]2([C:14](=[O:15])[N:44]([CH:42]([c:34]3[cH:33][c:32]([C:31]([F:30])([F:46])[F:47])[cH:37][c:36]([C:38]([F:39])([F:40])[F:41])[cH:35]3)[CH3:43])[CH3:45])[CH2:11][CH:12]2[CH2:13]1

Participants

6

Reactant 5

HCID 769Bicarbonate IonHCID 923Sodium ionHCID 8471TriethylamineHCID 220173563,5-Bis(trifluoromethyl)-alpha,N-dimethylbenzylamineHCID 58907342HCID 58907342, compound

Product 1

HCID 730028963-benzyl-N-[1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-N-methyl-2-phenyl-3-azabicyclo[3.1.0]hexane-1-carboxamide

Sources & evidence

ORD record
ord-516a28bc11594416b457abed365040ac
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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