Sodium Ion → 4'-(4-N-Methylpiperazin-1-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'(3'H)-furo[2,3-b]pyridine]

Reaction equation

[CH3:24][N:25]1[CH2:26][CH2:27][NH:28][CH2:29][CH2:30]1.[Cl:1][c:2]1[c:3]2[c:4]([n:5][cH:6][cH:7]1)[O:8][C:9]1([CH2:10][N:11]3[CH2:12][CH2:13][CH:14]1[CH2:15][CH2:16]3)[CH2:17]2.[Na+:18].[Na+:19].[O-:20][C:21](=[O:22])[O-:23].[OH2:31]>>[c:2]1([N:28]2[CH2:27][CH2:26][N:25]([CH3:24])[CH2:30][CH2:29]2)[c:3]2[c:4]([n:5][cH:6][cH:7]1)[O:8][C:9]1([CH2:10][N:11]3[CH2:12][CH2:13][CH:14]1[CH2:15][CH2:16]3)[CH2:17]2

Participants

Reactant 5

HCID 923Sodium Ion2×

HCID 962Water

HCID 19660Carbonate Ion

HCID 531671-Methylpiperazine

HCID 100377734'-chlorospiro[1-azabicyclo[2.2.2]octane-3,2'(3'H)-furo[2,3-b]pyridine]

Product 1

HCID 159082454'-(4-N-Methylpiperazin-1-yl)spiro[1-azabicyclo[2.2.2]octane-3,2'(3'H)-furo[2,3-b]pyridine]

Sources & evidence

ORD record: ord-069c2b02d53f4eaaa0886ea1c162e88e
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D

Reaction notes

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