Acetate → HCID 20088786, compound

HRID 1574356Notes

Reaction equation

HRID 1574356 reaction equation
[C:29]([CH:30]([CH3:31])[CH3:32])(=[O:33])[Cl:34].[C:6]([OH:7])(=[O:8])[CH3:9].[CH3:10][C:11]([CH3:12])([CH3:13])[c:14]1[c:15]([OH:28])[c:16]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:17][c:18]([CH:20]([CH3:21])[NH:22][OH:23])[cH:19]1.[CH3:2][C:3](=[O:4])[O-:5].[Na+:1].[O:36]1[CH2:37][CH2:38][O:39][CH2:40][CH2:41]1.[OH2:35]>>[CH3:10][C:11]([CH3:12])([CH3:13])[c:14]1[c:15]([OH:28])[c:16]([C:24]([CH3:25])([CH3:26])[CH3:27])[cH:17][c:18]([CH:20]([CH3:21])[N:22]([OH:23])[C:29]([CH:30]([CH3:31])[CH3:32])=[O:33])[cH:19]1

Participants

8

Reactant 7

HCID 175AcetateHCID 176Acetic AcidHCID 923Sodium ionHCID 962WaterHCID 312751,4-DioxaneHCID 62325Isobutyryl chlorideHCID 20088784HCID 20088784, compound

Product 1

HCID 20088786HCID 20088786, compound

Sources & evidence

ORD record
ord-cfda128bf0ee4d64a7d24014ddbc1f54
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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