Tert-butyl 1,4-diazepane-1-carboxylate → tert-butyl 4-(4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)-1,4-diazepane-1-carboxylate

HRID 2137770Notes

Reaction equation

HRID 2137770 reaction equation
[Br:1][c:2]1[c:3]([N+:12](=[O:13])[O-:14])[cH:4][n:5][n:6]1[CH2:7][C:8]([F:9])([F:10])[F:11].[N:15]1([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:16][CH2:17][NH:18][CH2:19][CH2:20][CH2:21]1>>[c:2]1([N:18]2[CH2:17][CH2:16][N:15]([C:22](=[O:23])[O:24][C:25]([CH3:26])([CH3:27])[CH3:28])[CH2:21][CH2:20][CH2:19]2)[c:3]([N+:12](=[O:13])[O-:14])[cH:4][n:5][n:6]1[CH2:7][C:8]([F:9])([F:10])[F:11]

Participants

3

Reactant 2

HCID 2756058Tert-butyl 1,4-diazepane-1-carboxylateHCID 569733215-bromo-4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazole

Product 1

HCID 86679993tert-butyl 4-(4-nitro-1-(2,2,2-trifluoroethyl)-1H-pyrazol-5-yl)-1,4-diazepane-1-carboxylate

Sources & evidence

ORD record
ord-a641b0c8faad42e28a04ea03c9af4914
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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