Formic Acid → HCID 57554550, compound

HRID 180539Notes

Reaction equation

HRID 180539 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][NH:18][c:19]3[cH:20][cH:21][c:22]([F:29])[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28]3)[cH:30][cH:31]2)[cH:9][cH:10]1.[CH2:32]=[O:33].[CH:36]([OH:37])=[O:38].[Na+:35].[OH-:34]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[c:5]1[cH:6][cH:7][c:8]([C:11]#[C:12][c:13]2[cH:14][cH:15][c:16]([CH2:17][N:18]([c:19]3[cH:20][cH:21][c:22]([F:29])[c:23]([C:24](=[O:25])[O:26][CH3:27])[cH:28]3)[CH3:32])[cH:30][cH:31]2)[cH:9][cH:10]1

Participants

6

Reactant 5

HCID 284Formic AcidHCID 712FormaldehydeHCID 923Sodium ionHCID 961HydroxideHCID 11452740Methyl 5-({4-[(4-butylphenyl)ethynyl]benzyl}amino)-2-fluorobenzoate

Product 1

HCID 57554550HCID 57554550, compound

Sources & evidence

ORD record
ord-2a5efc038d11444499da4509fcee3d10
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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