Acetic Acid → HCID 21504754, compound

HRID 174298Notes

Reaction equation

HRID 174298 reaction equation
[CH2:1]([CH2:2][CH2:3][CH3:4])[O:5][C:6](=[O:7])[c:8]1[o:9][c:10]2[c:11]([c:12](=[O:14])[cH:13]1)[c:15]1[c:16]([cH:17][c:18]2[Cl:19])-[c:20]2[c:21]([cH:26][c:27]([S:30](=[O:31])(=[O:32])[OH:33])[cH:28][cH:29]2)[C:22]([CH3:24])([CH3:25])[O:23]1.[CH3:35][C:36](=[O:37])[OH:38].[ClH:39].[OH2:34]>>[O:5]=[C:6]([OH:7])[c:8]1[o:9][c:10]2[c:11]([c:12](=[O:14])[cH:13]1)[c:15]1[c:16]([cH:17][c:18]2[Cl:19])-[c:20]2[c:21]([cH:26][c:27]([S:30](=[O:31])(=[O:32])[OH:33])[cH:28][cH:29]2)[C:22]([CH3:24])([CH3:25])[O:23]1

Participants

5

Reactant 4

HCID 176Acetic AcidHCID 313Hydrochloric AcidHCID 962WaterHCID 21504749HCID 21504749, compound

Product 1

HCID 21504754HCID 21504754, compound

Sources & evidence

ORD record
ord-812858cbee60476eb7f717d073c9952c
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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