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

HRID 147281Notes

Reaction equation

HRID 147281 reaction equation
[CH3:34][CH2:35][OH:36].[CH:25]([N:26]([CH:27]([CH3:28])[CH3:29])[CH2:30][CH3:31])([CH3:32])[CH3:33].[Cl:1][c:2]1[c:3]([N+:8](=[O:9])[O-:10])[cH:4][n:5][n:6]1[CH3:7].[N:11]1([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:12][CH2:13][NH:14][CH2:15][CH2:16][CH2:17]1>>[c:2]1([N:14]2[CH2:13][CH2:12][N:11]([C:18](=[O:19])[O:20][C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:17][CH2:16][CH2:15]2)[c:3]([N+:8](=[O:9])[O-:10])[cH:4][n:5][n:6]1[CH3:7]

Participants

5

Reactant 4

HCID 702EthanolHCID 81531DiisopropylethylamineHCID 2756058Tert-butyl 1,4-diazepane-1-carboxylateHCID 123448365-chloro-1-methyl-4-nitro-1H-pyrazole

Product 1

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

Sources & evidence

ORD record
ord-6d0ca2c5ef0340a8b578b469f2361438
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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