Hydrochloric Acid → 4-[4-(3-Piperazin-1-ylpropoxy)phenyl]tetrahydropyran-4-carbonitrile

HRID 2339506Notes

Reaction equation

HRID 2339506 reaction equation
[C:1]([O:2][C:3](=[O:4])[N:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]([C:24]3([C:30]#[N:31])[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[cH:22][cH:23]2)[CH2:12][CH2:13]1)([CH3:5])([CH3:6])[CH3:7].[CH3:32][OH:33].[ClH:34].[O:35]1[CH2:36][CH2:37][O:38][CH2:39][CH2:40]1>>[NH:8]1[CH2:9][CH2:10][N:11]([CH2:14][CH2:15][CH2:16][O:17][c:18]2[cH:19][cH:20][c:21]([C:24]3([C:30]#[N:31])[CH2:25][CH2:26][O:27][CH2:28][CH2:29]3)[cH:22][cH:23]2)[CH2:12][CH2:13]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 887MethanolHCID 312751,4-DioxaneHCID 598375064-{3-[4-(4-Cyano-tetrahydro-pyran-4-yl)-phenoxy]-propyl}-piperazine-1-carboxylic acid tert-butyl ester

Product 1

HCID 598373994-[4-(3-Piperazin-1-ylpropoxy)phenyl]tetrahydropyran-4-carbonitrile

Sources & evidence

ORD record
ord-4c62e476946248178c44a0eb8dcf4047
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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