Acetic Acid → HCID 178475791, compound

HRID 197538Notes

Reaction equation

HRID 197538 reaction equation
[CH3:51][C:52]([OH:53])=[O:54].[CH3:55][C:56]([O:57][C:58](=[O:59])[CH3:60])=[O:61].[CH3:62][CH2:63][O:64][C:65](=[O:66])[CH3:67].[CH3:6][O:7][CH:8]1[CH:9]([O:10][C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[O:18])[CH:19]([O:20][C:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)=[O:28])[C:29]([CH2:31][O:32][C:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)=[O:40])([CH2:41][O:42][C:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)=[O:50])[O:30]1.[OH2:68].[S:1](=[O:2])(=[O:3])([OH:4])[OH:5]>>[CH:8]1([O:53][C:52]([CH3:51])=[O:54])[CH:9]([O:10][C:11]([c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)=[O:18])[CH:19]([O:20][C:21]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)=[O:28])[C:29]([CH2:31][O:32][C:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)=[O:40])([CH2:41][O:42][C:43]([c:44]2[cH:45][cH:46][cH:47][cH:48][cH:49]2)=[O:50])[O:30]1

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 962WaterHCID 1118Sulfuric AcidHCID 7918Acetic AnhydrideHCID 8857Ethyl AcetateHCID 178494409HCID 178494409, compound

Product 1

HCID 178475791HCID 178475791, compound

Sources & evidence

ORD record
ord-f183a5f06f2d4762a7ba4006a511edf6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Reaction notes

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