Tetrahydrofuran → (RS)-1-(4-Fluorophenyl)-4-(1-{1-[5-(4-fluorophenyl)-2-methylthiazol-4-yl]-methanoyl}-piperidin-2-yl)-butane-1,3-dione

HRID 159635Notes

Reaction equation

HRID 159635 reaction equation
[CH2:26]([O:27][C:28]([Cl:29])=[O:30])[CH:31]([CH3:32])[CH3:33].[CH3:57][CH2:58][N:59]([CH2:60][CH3:61])[CH2:62][CH3:63].[CH:44]([N-:45][CH:46]([CH3:47])[CH3:48])([CH3:49])[CH3:50].[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:14](=[O:15])[N:16]3[CH:17]([CH2:22][C:23](=[O:24])[OH:25])[CH2:18][CH2:19][CH2:20][CH2:21]3)[n:10][c:11]([CH3:13])[s:12]2)[cH:6][cH:7]1.[F:34][c:35]1[cH:36][cH:37][c:38]([C:41]([CH3:42])=[O:43])[cH:39][cH:40]1.[Li+:51].[O:52]1[CH2:53][CH2:54][CH2:55][CH2:56]1>>[F:1][c:2]1[cH:3][cH:4][c:5](-[c:8]2[c:9]([C:14](=[O:15])[N:16]3[CH:17]([CH2:22][C:23](=[O:25])[CH2:42][C:41]([c:38]4[cH:37][cH:36][c:35]([F:34])[cH:40][cH:39]4)=[O:43])[CH2:18][CH2:19][CH2:20][CH2:21]3)[n:10][c:11]([CH3:13])[s:12]2)[cH:6][cH:7]1

Participants

8

Reactant 7

HCID 8028TetrahydrofuranHCID 8471TriethylamineHCID 98284'-FluoroacetophenoneHCID 28486Lithium ionHCID 62365Isobutyl chloroformateHCID 5062348DiisopropylamideHCID 23146320(1-{1-[5-(4-Fluoro-phenyl)-2-methyl-thiazol-4-yl]-methanoyl}-piperidin-2-yl)-acetic acid

Product 1

HCID 67158631(RS)-1-(4-Fluorophenyl)-4-(1-{1-[5-(4-fluorophenyl)-2-methylthiazol-4-yl]-methanoyl}-piperidin-2-yl)-butane-1,3-dione

Sources & evidence

ORD record
ord-97fcb2d7e7e1444cb94ba211f88e2d59
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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