Acetate → HCID 53777700, compound

HRID 207545Notes

Reaction equation

HRID 207545 reaction equation
[C:30]([CH:31]([CH3:32])[CH3:33])(=[O:34])[Cl:35].[CH3:2][C:3](=[O:4])[O-:5].[CH3:6][C:7]([CH3:8])([CH3:9])[c:10]1[c:11]([OH:29])[c:12]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:13][c:14]([CH:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[NH:23][OH:24])[cH:15]1.[Na+:1].[O:37]1[CH2:38][CH2:39][O:40][CH2:41][CH2:42]1.[OH2:36]>>[CH3:6][C:7]([CH3:8])([CH3:9])[c:10]1[c:11]([OH:29])[c:12]([C:25]([CH3:26])([CH3:27])[CH3:28])[cH:13][c:14]([CH:16]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[N:23]([OH:24])[C:30]([CH:31]([CH3:32])[CH3:33])=[O:34])[cH:15]1

Participants

7

Reactant 6

HCID 175AcetateHCID 923Sodium ionHCID 962WaterHCID 312751,4-DioxaneHCID 62325Isobutyryl chlorideHCID 9883871HCID 9883871, compound

Product 1

HCID 53777700HCID 53777700, compound

Sources & evidence

ORD record
ord-9bc06cb23b454a00863d2964998a39e9
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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