Acetic Acid → HCID 22393108, compound

HRID 2335338Notes

Reaction equation

HRID 2335338 reaction equation
[CH3:37][C:38](=[O:39])[OH:40].[CH3:41][CH2:42][OH:43].[Na+:36].[O:1]=[S:2]1(=[O:34])[CH2:3][C:4]([CH2:28][CH3:29])([CH2:30][CH2:31][CH2:32][CH3:33])[CH2:5][N:6]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:7]2[c:8]1[cH:9][c:10]([O:15][CH2:16][C:17](=[O:18])[O:19][CH2:20][CH3:21])[c:11]([O:13][CH3:14])[cH:12]2.[OH-:35].[OH2:44]>>[O:1]=[S:2]1(=[O:34])[CH2:3][C:4]([CH2:28][CH3:29])([CH2:30][CH2:31][CH2:32][CH3:33])[CH2:5][N:6]([c:22]2[cH:23][cH:24][cH:25][cH:26][cH:27]2)[c:7]2[c:8]1[cH:9][c:10]([O:15][CH2:16][C:17](=[O:18])[OH:19])[c:11]([O:13][CH3:14])[cH:12]2

Participants

7

Reactant 6

HCID 176Acetic AcidHCID 702EthanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 22393120HCID 22393120, compound

Product 1

HCID 22393108HCID 22393108, compound

Sources & evidence

ORD record
ord-984abf00c8c648579c3c4bd79c8ccd25
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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