Acetic Acid → 1,1-Dimethylethyl 3-[[[4-(methoxycarbonyl)phenyl]methyl]methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate

HRID 201489Notes

Reaction equation

HRID 201489 reaction equation
[C:34]([O:35][BH-:36]([O:37][C:38](=[O:39])[CH3:40])[O:41][C:42](=[O:43])[CH3:44])(=[O:45])[CH3:46].[C:48](=[O:49])([OH:50])[O-:51].[CH2:28]=[O:29].[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][NH:12][CH:13]2[CH2:14][CH:15]3[CH2:16][CH2:17][CH:18]([CH2:19]2)[N:20]3[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[cH:9][cH:10]1.[CH3:30][C:31](=[O:32])[OH:33].[Cl:53][CH:54]([Cl:55])[CH3:56].[Na+:47].[Na+:52]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][cH:7][c:8]([CH2:11][N:12]([CH:13]2[CH2:14][CH:15]3[CH2:16][CH2:17][CH:18]([CH2:19]2)[N:20]3[C:21](=[O:22])[O:23][C:24]([CH3:25])([CH3:26])[CH3:27])[CH3:30])[cH:9][cH:10]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 712FormaldehydeHCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 63651,1-DichloroethaneHCID 2724942TriacetoxyborohydrideHCID 684901201,1-Dimethylethyl 3-[[[4-(methoxycarbonyl)phenyl]methyl]amino]-8-azabicyclo[3.2.1]octane-8-carboxylate

Product 1

HCID 684902161,1-Dimethylethyl 3-[[[4-(methoxycarbonyl)phenyl]methyl]methylamino]-8-azabicyclo[3.2.1]octane-8-carboxylate

Sources & evidence

ORD record
ord-43a2b593ca504522b71b516f2ff17857
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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