Acetate → HCID 15027407, compound

HRID 1128990Notes

Reaction equation

HRID 1128990 reaction equation
[CH2:35]1[O:36][CH2:37][CH2:38][O:39][CH2:40]1.[CH3:27][C:28]([O-:29])=[O:30].[CH3:31][C:32](=[O:33])[Cl:34].[CH3:42][CH2:43][O:44][C:45](=[O:46])[CH3:47].[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[n:8]2[c:9]([CH3:23])[c:10]([CH:19]([CH3:20])[NH:21][OH:22])[c:11]3[cH:12][c:13]([O:17][CH3:18])[cH:14][cH:15][c:16]23)[cH:24][cH:25]1.[Na+:26].[OH2:41]>>[Cl:1][c:2]1[cH:3][cH:4][c:5]([C:6](=[O:7])[n:8]2[c:9]([CH3:23])[c:10]([CH:19]([CH3:20])[N:21]([OH:22])[C:28]([CH3:27])=[O:29])[c:11]3[cH:12][c:13]([O:17][CH3:18])[cH:14][cH:15][c:16]23)[cH:24][cH:25]1

Participants

8

Reactant 7

HCID 175AcetateHCID 923Sodium ionHCID 962WaterHCID 6367Acetyl chlorideHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 15027406HCID 15027406, compound

Product 1

HCID 15027407HCID 15027407, compound

Sources & evidence

ORD record
ord-76b2123c436947e39b1e38454a42b8b0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (7/10)

Reaction notes

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