Water → Tert-butyl 7-[3-(4-cyanophenoxy)-2-hydroxypropyl]-9-hydroxy-9-methyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

HRID 151885Notes

Reaction equation

HRID 151885 reaction equation
[C:33](#[N:34])[CH3:35].[O:1]1[CH:2]([CH2:4][O:5][c:6]2[cH:7][cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]2)[CH2:3]1.[OH2:32].[OH:14][C:15]1([CH3:31])[CH:16]2[CH2:17][N:18]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:19][CH:20]1[CH2:21][NH:22][CH2:23]2>>[OH:1][CH:2]([CH2:3][N:22]1[CH2:21][CH:20]2[C:15]([OH:14])([CH3:31])[CH:16]([CH2:17][N:18]([C:24](=[O:25])[O:26][C:27]([CH3:28])([CH3:29])[CH3:30])[CH2:19]2)[CH2:23]1)[CH2:4][O:5][c:6]1[cH:7][cH:8][c:9]([C:10]#[N:11])[cH:12][cH:13]1

Participants

5

Reactant 4

HCID 962WaterHCID 6342AcetonitrileHCID 27643014-(2-Oxiranylmethoxy)benzenecarbonitrileHCID 22490276Tert-butyl 9-hydroxy-9-methyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Product 1

HCID 9824066Tert-butyl 7-[3-(4-cyanophenoxy)-2-hydroxypropyl]-9-hydroxy-9-methyl-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Sources & evidence

ORD record
ord-c27be9002e2148a085a03cf4f8fc308c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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