Acetate → Acetic Acid

HRID 2133320Notes

Reaction equation

HRID 2133320 reaction equation
[CH3:1][C:2]1([CH2:16][CH2:17][CH2:18][C:19]([CH2:20][CH2:21][CH2:22][C:23]([CH2:24][CH2:25][CH2:26][C:27]([CH3:28])([CH3:29])[Cl:30])([CH3:31])[Cl:32])([CH3:33])[Cl:34])[O:3][c:4]2[c:5]([CH3:15])[c:6]([CH3:14])[c:7]([OH:13])[c:8]([CH3:12])[c:9]2[CH2:10][CH2:11]1.[CH3:36][C:37](=[O:38])[O:39][C:40](=[O:41])[CH3:42].[CH3:44][C:45](=[O:46])[O-:47].[CH3:51][CH2:52][O:53][C:54](=[O:55])[CH3:56].[CH3:58][C:59](=[O:60])[OH:61].[Cl-:48].[Cl-:50].[ClH:35].[Na+:43].[OH2:57].[Zn+2:49]>>[CH3:1][C:2]1([CH2:16][CH2:17][CH2:18][C:19]([CH2:20][CH2:21][CH2:22][C:23]([CH2:24][CH2:25][CH2:26][C:27]([CH3:28])([CH3:29])[Cl:30])([CH3:31])[Cl:32])([CH3:33])[Cl:34])[O:3][c:4]2[c:5]([CH3:15])[c:6]([CH3:14])[c:7]([OH:13])[c:8]([CH3:12])[c:9]2[CH2:10][CH2:11]1.[CH3:36][C:37](=[O:38])[OH:39]

Participants

12

Reactant 10

HCID 175AcetateHCID 176Acetic AcidHCID 312Chloride2×HCID 313Hydrochloric AcidHCID 923Sodium ionHCID 962WaterHCID 7918Acetic AnhydrideHCID 8857Ethyl AcetateHCID 32051Zinc(2+)HCID 13633545HCID 13633545, compound

Product 2

HCID 176Acetic AcidHCID 13633545HCID 13633545, compound

Sources & evidence

ORD record
ord-9490e840f8dc4b9c80c6c3a125e99e9a
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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