Acetate → HCID 11749519, compound

HRID 1232814Notes

Reaction equation

HRID 1232814 reaction equation
[Br:31][Br:32].[C:35]([OH:36])(=[O:37])[CH3:38].[CH3:27][C:28](=[O:29])[O-:30].[Cl:1][c:2]1[c:3](-[c:9]2[n:10][n:11]([CH3:20])[c:12](-[c:14]3[s:15][cH:16][cH:17][c:18]3[CH3:19])[n:13]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1.[N:33]#[N:34].[Na+:26].[Zn:39].[nH:21]1[cH:22][cH:23][n:24][n:25]1>>[Cl:1][c:2]1[c:3](-[c:9]2[n:10][n:11]([CH3:20])[c:12](-[c:14]3[s:15][cH:16][c:17]([Br:31])[c:18]3[CH3:19])[n:13]2)[c:4]([F:8])[cH:5][cH:6][cH:7]1

Participants

9

Reactant 8

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 947NitrogenHCID 23994ZincHCID 24408BromineHCID 15544234HCID 15544234, compoundHCID 178418936HCID 178418936, compound

Product 1

HCID 11749519HCID 11749519, compound

Sources & evidence

ORD record
ord-d4950214596c428f94937415e7bdcfc9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (5/10)

Reaction notes

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