Hydrochloric Acid → (7RS,9aSR)-7-hydroxymethyl-2-(2-cyano4-fluorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

HRID 173932

Reaction equation

HRID 173932 reaction equation
[CH3:24][S:25]([CH3:26])=[O:27].[ClH:23].[F:13][c:14]1[c:15]([C:16]#[N:17])[cH:18][c:19]([F:22])[cH:20][cH:21]1.[OH:1][CH2:2][CH:3]1[CH2:4][CH2:5][CH:6]2[N:7]([CH2:8][CH2:9][NH:10][CH2:11]2)[CH2:12]1>>[OH:1][CH2:2][CH:3]1[CH2:4][CH2:5][CH:6]2[N:7]([CH2:8][CH2:9][N:10]([c:14]3[c:15]([C:16]#[N:17])[cH:18][c:19]([F:22])[cH:20][cH:21]3)[CH2:11]2)[CH2:12]1

Participants

5

Reactant 4

HCID 313Hydrochloric AcidHCID 679Dimethyl SulfoxideHCID 1235582,5-DifluorobenzonitrileHCID 12985539(Octahydro-1H-pyrido[1,2-A]pyrazin-7-YL)methanol

Product 1

HCID 69432665(7RS,9aSR)-7-hydroxymethyl-2-(2-cyano4-fluorophenyl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

Sources & evidence

ORD record
ord-1927896b61ad4cecbf2833ec66af2205
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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