Bicarbonate Ion → 1-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one

HRID 2146949Notes

Reaction equation

HRID 2146949 reaction equation
[C:36](=[O:37])([OH:38])[O-:39].[CH3:41][CH2:42][O:43][C:44](=[O:45])[CH3:46].[F:3][c:4]1[cH:5][c:6]2[c:10]([cH:11][cH:12]1)[CH2:9][CH:8]([NH:13][C:14]([C:15]([CH2:16][CH2:17][CH2:18][Cl:19])=[CH:20][c:21]1[cH:22][c:23]([O:33][CH3:34])[c:24](-[n:27]3[cH:28][n:29][c:30]([CH3:32])[cH:31]3)[cH:25][cH:26]1)=[O:35])[CH2:7]2.[H-:1].[Na+:2].[Na+:40].[O:47]=[CH:48][N:49]([CH3:50])[CH3:51]>>[F:3][c:4]1[cH:5][c:6]2[c:10]([cH:11][cH:12]1)[CH2:9][CH:8]([N:13]1[C:14](=[O:35])[C:15](=[CH:20][c:21]3[cH:22][c:23]([O:33][CH3:34])[c:24](-[n:27]4[cH:28][n:29][c:30]([CH3:32])[cH:31]4)[cH:25][cH:26]3)[CH2:16][CH2:17][CH2:18]1)[CH2:7]2

Participants

7

Reactant 6

HCID 769Bicarbonate IonHCID 923Sodium ion2×HCID 6228DimethylformamideHCID 8857Ethyl AcetateHCID 166653HydrideHCID 772119695-chloro-N-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-2-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanamide

Product 1

HCID 669601091-(5-fluoro-2,3-dihydro-1H-inden-2-yl)-3-[[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]piperidin-2-one

Sources & evidence

ORD record
ord-bbe0507a33384f6f867e011c3d117dc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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