Acetonitrile → Tert-butyl 5-(4-methoxybenzyloxy)-3-oxoazepane-1-carboxylate

HRID 662150Notes

Reaction equation

HRID 662150 reaction equation
[CH2:26]1[CH2:27][CH2:28][C:29]2=[N:34][CH2:33][CH2:32][CH2:31][N:30]2[CH2:35][CH2:36]1.[CH3:16][O:17][c:18]1[cH:19][cH:20][c:21]([CH2:24][OH:25])[cH:22][cH:23]1.[CH3:37][C:38]#[N:39].[O:1]=[C:2]1[CH2:3][N:4]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:5][CH2:6][CH:7]=[CH:8]1>>[O:1]=[C:2]1[CH2:3][N:4]([C:9](=[O:10])[O:11][C:12]([CH3:13])([CH3:14])[CH3:15])[CH2:5][CH2:6][CH:7]([O:25][CH2:24][c:21]2[cH:20][cH:19][c:18]([O:17][CH3:16])[cH:23][cH:22]2)[CH2:8]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 77384-Methoxybenzyl alcoholHCID 811841,8-Diazabicyclo(5.4.0)undec-7-eneHCID 75464896tert-Butyl 3-oxo-2,3,6,7-tetrahydro-1H-azepine-1-carboxylate

Product 1

HCID 86679955Tert-butyl 5-(4-methoxybenzyloxy)-3-oxoazepane-1-carboxylate

Sources & evidence

ORD record
ord-d46262883e1b413da85421d34c9351f1
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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