Bicarbonate Ion → 1-Azabicyclo[2.2.2]octan-3-yl 1-phenylcycloheptane-1-carboxylate

HRID 321664Notes

Reaction equation

HRID 321664 reaction equation
[CH3:10][O:11][C:12](=[O:13])[C:14]1([c:21]2[cH:22][cH:23][cH:24][cH:25][cH:26]2)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]1.[CH3:34][c:35]1[cH:36][cH:37][cH:38][cH:39][cH:40]1.[CH3:41][CH2:42][O:43][C:44]([CH3:45])=[O:46].[H-:27].[N:1]12[CH2:2][CH:3]([OH:9])[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2.[Na+:28].[Na+:33].[O-:29][C:30]([OH:31])=[O:32]>>[N:1]12[CH2:2][CH:3]([O:9][C:12](=[O:11])[C:14]3([c:21]4[cH:22][cH:23][cH:24][cH:25][cH:26]4)[CH2:15][CH2:16][CH2:17][CH2:18][CH2:19][CH2:20]3)[CH:4]([CH2:5][CH2:6]1)[CH2:7][CH2:8]2

Participants

8

Reactant 7

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 1140TolueneHCID 8857Ethyl AcetateHCID 15381(+-)-3-QuinuclidinolHCID 166653HydrideHCID 59179615Methyl 1-phenylcycloheptanecarboxylate

Product 1

HCID 668858941-Azabicyclo[2.2.2]octan-3-yl 1-phenylcycloheptane-1-carboxylate

Sources & evidence

ORD record
ord-5d97f24853b645a5a51a420217bd7de8
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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