Acetic Acid → HCID 178526124, compound

HRID 2123674Notes

Reaction equation

HRID 2123674 reaction equation
[C:1](=[O:2])([c:3]1[cH:4][cH:5][cH:6][cH:7][cH:8]1)[N:9]1[CH:10]([C:11](=[S:12])[OH:13])[CH2:14][CH:15]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:16]1.[CH3:28][CH:29]([CH2:30][O:31][C:32](=[O:33])[CH3:34])[CH3:35].[CH3:39][C:40](=[O:41])[OH:42].[Na+:37].[OH-:36].[OH2:38].[S:23](=[O:24])(=[O:25])([OH:26])[OH:27]>>[NH:9]1[CH:10]([C:11](=[S:12])[OH:13])[CH2:14][CH:15]([c:17]2[cH:18][cH:19][cH:20][cH:21][cH:22]2)[CH2:16]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 1118Sulfuric AcidHCID 8038Isobutyl AcetateHCID 178519527HCID 178519527, compound

Product 1

HCID 178526124HCID 178526124, compound

Sources & evidence

ORD record
ord-1ba1bdbbc7704ffe847326190fce363d
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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