Ammonium → 4-{4-[(4-methylpiperazin-1-yl)methyl]tetrahydro-2H-pyran-4-yl}phenol

Reaction equation

[CH3:1][S-:2].[CH3:28][N:29]([CH3:30])[CH:31]=[O:32].[CH3:4][O:5][c:6]1[cH:7][cH:8][c:9]([C:12]2([CH2:18][N:19]3[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]3)[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[cH:10][cH:11]1.[Cl-:26].[NH4+:27].[Na+:3]>>[OH:5][c:6]1[cH:7][cH:8][c:9]([C:12]2([CH2:18][N:19]3[CH2:20][CH2:21][N:22]([CH3:25])[CH2:23][CH2:24]3)[CH2:13][CH2:14][O:15][CH2:16][CH2:17]2)[cH:10][cH:11]1

Participants

Reactant 6

HCID 223Ammonium

HCID 312Chloride

HCID 923Sodium Ion

HCID 6228Dimethylformamide

HCID 519392Mercaptomethanide

HCID 685756701-{[4-(4-methoxyphenyl)tetrahydro-2H-pyran-4-yl]methyl}4-methylpiperazine

Product 1

HCID 685768084-{4-[(4-methylpiperazin-1-yl)methyl]tetrahydro-2H-pyran-4-yl}phenol

Sources & evidence

ORD record: ord-160d898a459d42019e3af78dc9d78160
Source dataset: Training data from https://doi.org/10.1039/C8SC04228D (8/10)
DOI: 10.1039/C8SC04228D

Reaction notes

Loading…