Acetonitrile → (3-Nitro-pyridin-2-yl)-{4-[4-(3-pyrrolidin-1-yl-propoxy)-phenyl]-tetrahydro-pyran-4-ylmethyl}-amine

HRID 105026

Reaction equation

HRID 105026 reaction equation
[CH3:43][C:44]#[N:45].[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[Cl:33][c:34]1[n:35][cH:36][cH:37][cH:38][c:39]1[N+:40](=[O:41])[O-:42].[N:1]1([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([C:16]3([CH2:22][NH2:23])[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1>>[N:1]1([CH2:6][CH2:7][CH2:8][O:9][c:10]2[cH:11][cH:12][c:13]([C:16]3([CH2:22][NH:23][c:34]4[n:35][cH:36][cH:37][cH:38][c:39]4[N+:40](=[O:41])[O-:42])[CH2:17][CH2:18][O:19][CH2:20][CH2:21]3)[cH:14][cH:15]2)[CH2:2][CH2:3][CH2:4][CH2:5]1

Participants

5

Reactant 4

HCID 6342AcetonitrileHCID 796132-Chloro-3-nitropyridineHCID 81531DiisopropylethylamineHCID 11645410(4-[4-(3-Pyrrolidin-1-ylpropoxy)phenyl]tetrahydropyran-4-yl}methylamine

Product 1

HCID 68578573(3-Nitro-pyridin-2-yl)-{4-[4-(3-pyrrolidin-1-yl-propoxy)-phenyl]-tetrahydro-pyran-4-ylmethyl}-amine

Sources & evidence

ORD record
ord-95e7c412e35d47b5b2a2a9a61fbfde71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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