4-Tert-butylcyclohexanecarbonyl chloride → cis-4-tert-Butyl-N-{1-[3-(3-nitrophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]-propyl}cyclohexanecarboxamide

HRID 174245Notes

Reaction equation

HRID 174245 reaction equation
[C:21]([CH3:22])([CH3:23])([CH3:24])[CH:25]1[CH2:26][CH2:27][CH:28]([C:31](=[O:32])[Cl:33])[CH2:29][CH2:30]1.[NH2:1][CH:2]([CH2:3][CH3:4])[c:5]1[c:6](=[O:20])[nH:7][c:8](-[c:11]2[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][cH:16]2)[n:9][n:10]1>>[NH:1]([CH:2]([CH2:3][CH3:4])[c:5]1[c:6](=[O:20])[nH:7][c:8](-[c:11]2[cH:12][c:13]([N+:17](=[O:18])[O-:19])[cH:14][cH:15][cH:16]2)[n:9][n:10]1)[C:31]([CH:28]1[CH2:27][CH2:26][CH:25]([C:21]([CH3:22])([CH3:23])[CH3:24])[CH2:30][CH2:29]1)=[O:32]

Participants

3

Reactant 2

HCID 27572694-Tert-butylcyclohexanecarbonyl chlorideHCID 1355941026-(1-aminopropyl)-3-(3-nitrophenyl)-1,2,4-triazin-5(4H)-one

Product 1

HCID 135673385cis-4-tert-Butyl-N-{1-[3-(3-nitrophenyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]-propyl}cyclohexanecarboxamide

Sources & evidence

ORD record
ord-2ff872ed86f4469ea7559de8c80e32a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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