Dichloromethane → 1-(2-Methyl-4-nitro-pyrazol-3-yl)-1,4-diazepane

Reaction equation

[CH3:1][n:2]1[n:3][cH:4][c:5]([N+:21](=[O:22])[O-:23])[c:6]1[N:7]1[CH2:8][CH2:9][N:10]([C:14]([O:15][C:16]([CH3:17])([CH3:18])[CH3:19])=[O:20])[CH2:11][CH2:12][CH2:13]1.[Cl:24][CH2:25][Cl:26].[F:27][C:28]([F:29])([F:30])[C:31]([OH:32])=[O:33]>>[CH3:1][n:2]1[n:3][cH:4][c:5]([N+:21](=[O:22])[O-:23])[c:6]1[N:7]1[CH2:8][CH2:9][NH:10][CH2:11][CH2:12][CH2:13]1

Participants

Reactant 3

HCID 6344Dichloromethane

HCID 6422Trifluoroacetic acid

HCID 86680122Tert-butyl 4-(2-methyl-4-nitro-pyrazol-3-yl)-1,4-diazepane-1-carboxylate

Product 1

HCID 866801231-(2-Methyl-4-nitro-pyrazol-3-yl)-1,4-diazepane

Sources & evidence

ORD record: ord-40097696046241cbaa7d70f4871cc246
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (6/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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