Tetrahydrofuran → (7RS,8aSR)-7-(4-Fluorophenoxy)methyl-2-(5-chloropyridin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine

HRID 204674Notes

Reaction equation

HRID 204674 reaction equation
[CH2:58]1[O:59][CH2:60][CH2:61][CH2:62]1.[F:19][c:20]1[cH:21][cH:22][c:23]([OH:26])[cH:24][cH:25]1.[O:46]=[C:47]([O:48][CH2:49][CH3:50])[N:51]=[N:52][C:53]([O:54][CH2:55][CH3:56])=[O:57].[OH:1][CH2:2][CH:3]1[CH2:4][CH:5]2[N:6]([CH2:7][CH2:8][N:9]([c:11]3[n:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]3)[CH2:10]2)[CH2:18]1.[c:27]1([P:28]([c:29]2[cH:30][cH:31][cH:32][cH:33][cH:34]2)[c:35]2[cH:36][cH:37][cH:38][cH:39][cH:40]2)[cH:41][cH:42][cH:43][cH:44][cH:45]1>>[O:1]([CH2:2][CH:3]1[CH2:4][CH:5]2[N:6]([CH2:7][CH2:8][N:9]([c:11]3[n:12][cH:13][c:14]([Cl:17])[cH:15][cH:16]3)[CH2:10]2)[CH2:18]1)[c:23]1[cH:22][cH:21][c:20]([F:19])[cH:25][cH:24]1

Participants

6

Reactant 5

HCID 8028TetrahydrofuranHCID 97324-FluorophenolHCID 11776TriphenylphosphineHCID 220568ethyl N-ethoxycarbonyliminocarbamateHCID 21706381[2-(5-chloro-2-pyridinyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-7-yl]methanol

Product 1

HCID 9841887(7RS,8aSR)-7-(4-Fluorophenoxy)methyl-2-(5-chloropyridin-2-yl)-1,2,3,4,6,7,8,8a-octahydro-pyrrolo[1,2-a]pyrazine

Sources & evidence

ORD record
ord-020ca6023374421d9a657f9f73faa2bc
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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