Sodium ion → Tert-butyl 5-chloro-2-[[2-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoate

HRID 93398Notes

Reaction equation

HRID 93398 reaction equation
[CH2:41]1[O:42][CH2:43][CH2:44][CH2:45]1.[CH3:46][CH2:47][O:48][C:49](=[O:50])[CH3:51].[Cl:3][CH2:4][CH2:5][CH2:6][CH:7]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])[P:15]([O:16][CH2:17][CH3:18])([O:19][CH2:20][CH3:21])=[O:22].[F:23][c:24]1[c:25]([CH:26]=[O:27])[cH:28][c:29]([O:38][CH3:39])[c:30](-[n:32]2[cH:33][n:34][c:35]([CH3:37])[cH:36]2)[cH:31]1.[H-:1].[Na+:2].[OH2:40]>>[Cl:3][CH2:4][CH2:5][CH2:6][C:7]([C:8](=[O:9])[O:10][C:11]([CH3:12])([CH3:13])[CH3:14])=[CH:26][c:25]1[c:24]([F:23])[cH:31][c:30](-[n:32]2[cH:33][n:34][c:35]([CH3:37])[cH:36]2)[c:29]([O:38][CH3:39])[cH:28]1

Participants

8

Reactant 7

HCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 166653HydrideHCID 730140352-fluoro-5-methoxy-4-(4-methyl-1H-imidazol-1-yl)benzaldehydeHCID 86602480Tert-butyl 5-chloro-2-(diethoxyphosphoryl)valerate

Product 1

HCID 77211875Tert-butyl 5-chloro-2-[[2-fluoro-5-methoxy-4-(4-methylimidazol-1-yl)phenyl]methylidene]pentanoate

Sources & evidence

ORD record
ord-772f9613377c47ab9652c77539199d04
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Reaction notes

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