Ammonium → 8-hydroxy-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-(3,4,5-trifluorophenyl)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-4-one

HRID 303598Notes

Reaction equation

HRID 303598 reaction equation
[C:19]([Si:20]([CH3:21])([CH3:22])[O:24][CH:25]1[CH2:26][CH:27]([c:51]2[cH:52][c:53]([F:59])[c:54]([F:58])[c:55]([F:57])[cH:56]2)[N:28]2[C:29](=[O:50])[C:30](=[CH:35][c:36]3[cH:37][c:38]([O:48][CH3:49])[c:39](-[n:42]4[cH:43][n:44][c:45]([CH3:47])[cH:46]4)[cH:40][cH:41]3)[CH2:31][CH2:32][CH:33]2[CH2:34]1)([CH3:23])([CH3:60])[CH3:61].[CH2:2]([N+:3]([CH2:4][CH2:5][CH2:6][CH3:7])([CH2:8][CH2:9][CH2:10][CH3:11])[CH2:12][CH2:13][CH2:14][CH3:15])[CH2:16][CH2:17][CH3:18].[CH2:70]1[O:71][CH2:72][CH2:73][CH2:74]1.[CH3:64][CH2:65][O:66][C:67](=[O:68])[CH3:69].[Cl-:62].[F-:1].[NH4+:63]>>[OH:24][CH:25]1[CH2:26][CH:27]([c:51]2[cH:52][c:53]([F:59])[c:54]([F:58])[c:55]([F:57])[cH:56]2)[N:28]2[C:29](=[O:50])[C:30](=[CH:35][c:36]3[cH:37][c:38]([O:48][CH3:49])[c:39](-[n:42]4[cH:43][n:44][c:45]([CH3:47])[cH:46]4)[cH:40][cH:41]3)[CH2:31][CH2:32][CH:33]2[CH2:34]1

Participants

8

Reactant 7

HCID 223AmmoniumHCID 312ChlorideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 16028TetrabutylammoniumHCID 28179Fluoride IonHCID 178488492HCID 178488492, compound

Product 1

HCID 1426956948-hydroxy-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]-6-(3,4,5-trifluorophenyl)-2,6,7,8,9,9a-hexahydro-1H-quinolizin-4-one

Sources & evidence

ORD record
ord-8ec6cc4deb894df5b3d181d2fc075066
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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