Sodium ion → HCID 178488485, compound

HRID 1226746Notes

Reaction equation

HRID 1226746 reaction equation
[Br:41][CH2:42][CH2:43][CH2:44][C:45]([N:46]1[CH:47]=[CH:48][C:49](=[O:50])[CH2:51][CH:52]1[c:53]1[cH:54][c:55]([F:56])[c:57]([F:58])[c:59]([F:60])[cH:61]1)=[O:62].[CH2:63]1[O:64][CH2:65][CH2:66][CH2:67]1.[CH3:68][CH2:69][O:70][C:71](=[O:72])[CH3:73].[F:5][c:6]1[cH:7][c:8]([CH:14]2[N:15]3[C:16](=[O:40])[C:17](=[CH:25][c:26]4[cH:27][c:28]([O:38][CH3:39])[c:29](-[n:32]5[cH:33][n:34][c:35]([CH3:37])[cH:36]5)[cH:30][cH:31]4)[CH2:18][CH2:19][CH:20]3[CH2:21][CH:22]([OH:24])[CH2:23]2)[cH:9][c:10]([F:13])[c:11]1[F:12].[H-:1].[I:3][CH3:4].[Na+:2].[OH2:74]>>[F:5][c:6]1[cH:7][c:8]([CH:14]2[N:15]3[C:16](=[O:40])[C:17](=[CH:25][c:26]4[cH:27][c:28]([O:38][CH3:39])[c:29](-[n:32]5[cH:33][n:34][c:35]([CH3:37])[cH:36]5)[cH:30][cH:31]4)[CH2:18][CH2:19][CH:20]3[CH2:21][CH:22]([O:24][CH3:42])[CH2:23]2)[cH:9][c:10]([F:13])[c:11]1[F:12]

Participants

9

Reactant 8

HCID 923Sodium ionHCID 962WaterHCID 6328Methyl iodideHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 166653HydrideHCID 674628841-(4-bromobutyryl)-2-(3,4,5-trifluorophenyl)-2,3-dihydro-1H-pyridin-4-oneHCID 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

Product 1

HCID 178488485HCID 178488485, compound

Sources & evidence

ORD record
ord-bcc26c04de404de8afdf5035b45db6a6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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