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

HRID 1566232Notes

Reaction equation

HRID 1566232 reaction equation
[CH2:34]([O:35][c:37]1[c:38]([N+:43](=[O:44])[O-:45])[cH:39][n:40][cH:41][cH:42]1)[CH3:36].[CH3:46][C:47]#[N:48].[CH:24]([N:25]([CH2:26][CH3:27])[CH:28]([CH3:29])[CH3:30])([CH3:31])[CH3:32].[ClH:33].[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:37]4[c:38]([N+:43](=[O:44])[O-:45])[cH:39][n:40][cH:41][cH:42]4)[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

6

Reactant 5

HCID 313Hydrochloric AcidHCID 6342AcetonitrileHCID 81531DiisopropylethylamineHCID 3563054-Ethoxy-3-nitropyridineHCID 11645410(4-[4-(3-Pyrrolidin-1-ylpropoxy)phenyl]tetrahydropyran-4-yl}methylamine

Product 1

HCID 68578716(3-Nitro-pyridin-4-yl)-{4-[4-(3-pyrrolidin-1-yl-propoxy)-phenyl]-tetrahydro-pyran-4-ylmethyl}-amine

Sources & evidence

ORD record
ord-1c5a7bc951d04712bf261c073460387f
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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