Methanol → Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-prop-2-enyl-8-azabicyclo[3.2.1]octane-6-carboxylate

HRID 1222792Notes

Reaction equation

HRID 1222792 reaction equation
[CH2:5]([CH:6]=[CH2:7])[N:8]1[C:9]2([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH:10]([O:23][CH2:24][c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[CH2:11][CH2:12][CH:13]1[CH:14]([C:16](=[O:17])[O:18][C:19]([CH3:20])([CH3:21])[CH3:22])[CH2:15]2.[CH3:1][C:2](=[O:3])[Cl:4].[CH3:45][OH:46]>>[CH2:5]([CH:6]=[CH2:7])[N:8]1[C:9]2([c:39]3[cH:40][cH:41][cH:42][cH:43][cH:44]3)[CH:10]([O:23][CH2:24][c:25]3[cH:26][c:27]([C:35]([F:36])([F:37])[F:38])[cH:28][c:29]([C:31]([F:32])([F:33])[F:34])[cH:30]3)[CH2:11][CH2:12][CH:13]1[CH:14]([C:16](=[O:17])[O:18][CH3:19])[CH2:15]2

Participants

4

Reactant 3

HCID 887MethanolHCID 6367Acetyl chlorideHCID 865867082-{[3,5-Bis(trifluoromethyl)phenyl]methoxy}-6-(tert-butoxycarbonyl)-1-phenyl-8-(prop-2-enyl)-8-azabicyclo[3.2.1]octane

Product 1

HCID 88039255Methyl 2-[[3,5-bis(trifluoromethyl)phenyl]methoxy]-1-phenyl-8-prop-2-enyl-8-azabicyclo[3.2.1]octane-6-carboxylate

Sources & evidence

ORD record
ord-ad3af0a45b78480293f97bd97fa36581
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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