4-(2-Oxiranylmethoxy)benzenecarbonitrile → 2-Hydroxy-1,1-dimethylethyl 7-[3-(4-cyanophenoxy)-2-hydroxy-propyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

HRID 100386Notes

Reaction equation

HRID 100386 reaction equation
[CH2:1]([c:2]1[cH:3][cH:4][cH:5][cH:6][cH:7]1)[N:8]1[CH2:9][CH:10]2[CH2:11][N:12]([C:17](=[O:18])[O:19][C:20]([CH2:21][OH:22])([CH3:23])[CH3:24])[CH2:13][CH:14]([CH2:15]1)[CH2:16]2.[O:25]1[CH:26]([CH2:28][O:29][c:30]2[cH:31][cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37]2)[CH2:27]1>>[CH2:1]([N:8]1[CH2:9][CH:10]2[CH2:11][N:12]([C:17](=[O:18])[O:19][C:20]([CH2:21][OH:22])([CH3:23])[CH3:24])[CH2:13][CH:14]([CH2:15]1)[CH2:16]2)[CH:26]([OH:25])[CH2:28][O:29][c:30]1[cH:31][cH:32][c:33]([C:34]#[N:35])[cH:36][cH:37]1

Participants

3

Reactant 2

HCID 27643014-(2-Oxiranylmethoxy)benzenecarbonitrileHCID 217019552-Hydroxy-1,1-dimethylethyl 7-benzyl-3,7-diazabicyclo[3.3.1]-nonane-3-carboxylate

Product 1

HCID 539898122-Hydroxy-1,1-dimethylethyl 7-[3-(4-cyanophenoxy)-2-hydroxy-propyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Sources & evidence

ORD record
ord-b35739c9bfbc4df2b83ae799d5b0f1dd
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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