Acetate → HCID 178474431, compound

HRID 2141162Notes

Reaction equation

HRID 2141162 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[n:6][c:7]([Cl:33])[c:8]2[c:9]([n:10]1)[n:11]([CH:15]1[CH:16]([O:17][C:18]([CH3:19])=[O:20])[CH:21]([O:22][C:23]([CH3:24])=[O:25])[CH:26]([CH2:28][O:29][C:30]([CH3:31])=[O:32])[O:27]1)[c:12](=[O:14])[s:13]2.[CH3:35][C:36](=[O:37])[O-:38].[CH3:39][CH2:40][OH:41].[Na+:34]>>[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[n:6][cH:7][c:8]2[c:9]([n:10]1)[n:11]([CH:15]1[CH:16]([O:17][C:18]([CH3:19])=[O:20])[CH:21]([O:22][C:23]([CH3:24])=[O:25])[CH:26]([CH2:28][O:29][C:30]([CH3:31])=[O:32])[O:27]1)[c:12](=[O:14])[s:13]2

Participants

5

Reactant 4

HCID 175AcetateHCID 702EthanolHCID 923Sodium ionHCID 178474454HCID 178474454, compound

Product 1

HCID 178474431HCID 178474431, compound

Sources & evidence

ORD record
ord-e7828e6bd0bf4601b2966bb8d1a6bcb2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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