Hydrochloric Acid → (7RS,9aSR)-7-(4-Fluorophenoxy)methyl-2-(3,5-dichloropyridin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

HRID 176002Notes

Reaction equation

HRID 176002 reaction equation
[CH2:61]1[O:62][CH2:63][CH2:64][CH2:65]1.[CH3:66][CH2:67][O:68][C:69](=[O:70])[CH3:71].[ClH:60].[F:21][c:22]1[cH:23][cH:24][c:25]([OH:28])[cH:26][cH:27]1.[O:48]=[C:49]([O:50][CH2:51][CH3:52])[N:53]=[N:54][C:55]([O:56][CH2:57][CH3:58])=[O:59].[OH:1][CH2:2][CH:3]1[CH2:4][CH2:5][CH:6]2[N:7]([CH2:8][CH2:9][N:10]([c:12]3[n:13][cH:14][c:15]([Cl:19])[cH:16][c:17]3[Cl:18])[CH2:11]2)[CH2:20]1.[c:29]1([P:30]([c:31]2[cH:32][cH:33][cH:34][cH:35][cH:36]2)[c:37]2[cH:38][cH:39][cH:40][cH:41][cH:42]2)[cH:43][cH:44][cH:45][cH:46][cH:47]1>>[O:1]([CH2:2][CH:3]1[CH2:4][CH2:5][CH:6]2[N:7]([CH2:8][CH2:9][N:10]([c:12]3[n:13][cH:14][c:15]([Cl:19])[cH:16][c:17]3[Cl:18])[CH2:11]2)[CH2:20]1)[c:25]1[cH:24][cH:23][c:22]([F:21])[cH:27][cH:26]1

Participants

8

Reactant 7

HCID 313Hydrochloric AcidHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 97324-FluorophenolHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 69431843(7RS,9aSR)-7-hydroxymethyl-2-(3,5-dichloropyridin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

Product 1

HCID 20654286(7RS,9aSR)-7-(4-Fluorophenoxy)methyl-2-(3,5-dichloropyridin-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-pyrido[1,2-a]pyrazine

Sources & evidence

ORD record
ord-045ec6d6b0684a9dbee514bf6f129b0d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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