Acetic Acid → HCID 58505812, compound

HRID 2126035Notes

Reaction equation

HRID 2126035 reaction equation
[C:37]([OH:38])(=[O:39])[CH3:40].[CH2:41]1[O:42][CH2:43][CH2:44][O:45][CH2:46]1.[CH3:1][C:2]([C:3](=[O:4])[c:5]1[c:6]([CH3:32])[c:7]([C:17](=[O:18])[N:19]([CH2:20][CH2:21][C:22](=[O:23])[O:24][CH3:25])[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[n:8]2[cH:9][cH:10][c:11]([CH:14]([CH3:15])[CH3:16])[cH:12][c:13]12)([CH3:33])[CH3:34].[Na+:36].[OH-:35].[OH2:47]>>[CH3:1][C:2]([C:3](=[O:4])[c:5]1[c:6]([CH3:32])[c:7]([C:17](=[O:18])[N:19]([CH2:20][CH2:21][C:22](=[O:23])[OH:24])[c:26]2[cH:27][cH:28][cH:29][cH:30][cH:31]2)[n:8]2[cH:9][cH:10][c:11]([CH:14]([CH3:15])[CH3:16])[cH:12][c:13]12)([CH3:33])[CH3:34]

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 312751,4-DioxaneHCID 66988966HCID 66988966, compound

Product 1

HCID 58505812HCID 58505812, compound

Sources & evidence

ORD record
ord-6cf7d692e1214443be1692892b1a2a71
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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