Acetic Acid → Chloride

HRID 1535282Notes

Reaction equation

HRID 1535282 reaction equation
[CH3:1][O-:2].[CH3:23][C:24](=[O:25])[OH:26].[CH3:29][OH:30].[Cl-:27].[F:4][c:5]1[c:6]([CH2:7][n:8]2[n:9][c:10]([C:17]#[N:18])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:19][cH:20][cH:21][cH:22]1.[NH4+:28].[Na+:3]>>[Cl-:27].[F:4][c:5]1[c:6]([CH2:7][n:8]2[n:9][c:10]([C:17](=[NH2+:18])[NH2:28])[c:11]3[cH:12][cH:13][cH:14][cH:15][c:16]23)[cH:19][cH:20][cH:21][cH:22]1

Participants

9

Reactant 7

HCID 176Acetic AcidHCID 223AmmoniumHCID 312ChlorideHCID 887MethanolHCID 923Sodium ionHCID 3826051MethoxideHCID 113910691-(2-Fluorobenzyl)-3-cyanoindazole

Product 2

HCID 312ChlorideHCID 178512434HCID 178512434, compound

Sources & evidence

ORD record
ord-48aa45bd25f44a39bea9056a46764767
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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