Isopropanol → 4-N-(1-benzyl-4-methylpiperidin-3-yl)-4-N-methyl-3-nitropyridine-2,4-diamine

HRID 136461

Reaction equation

[CH2:12]([c:13]1[cH:14][cH:15][cH:16][cH:17][cH:18]1)[N:19]1[CH2:20][CH:21]([NH:26][CH3:27])[CH:22]([CH3:25])[CH2:23][CH2:24]1.[CH3:37][CH:38]([OH:39])[CH3:40].[CH:28]([N:29]([CH2:30][CH3:31])[CH:32]([CH3:33])[CH3:34])([CH3:35])[CH3:36].[Cl:1][c:2]1[c:3]([N+:9](=[O:10])[O-:11])[c:4]([NH2:8])[n:5][cH:6][cH:7]1>>[c:2]1([N:26]([CH:21]2[CH2:20][N:19]([CH2:12][c:13]3[cH:14][cH:15][cH:16][cH:17][cH:18]3)[CH2:24][CH2:23][CH:22]2[CH3:25])[CH3:27])[c:3]([N+:9](=[O:10])[O-:11])[c:4]([NH2:8])[n:5][cH:6][cH:7]1

Participants

Reactant 4

HCID 3776Isopropanol

HCID 81531Diisopropylethylamine

HCID 40716944-Chloro-3-nitropyridin-2-amine

HCID 99438891-benzyl-N,4-dimethylpiperidin-3-amine

Product 1

HCID 913639154-N-(1-benzyl-4-methylpiperidin-3-yl)-4-N-methyl-3-nitropyridine-2,4-diamine

Sources & evidence

ORD record: ord-068c176c3e55420cb65a8474a8940d99
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Linked notes

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