Acetic Acid → HCID 58042462, compound

HRID 167465Notes

Reaction equation

HRID 167465 reaction equation
[C:19]([O:20][OH:21])(=[O:22])[CH3:23].[CH3:15][C:16]([OH:17])=[O:18].[CH3:31][CH2:32][CH2:33][CH2:34][CH2:35][CH2:36][CH3:37].[Cl:1][c:2]1[c:3]([O:8][CH:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[n:4][cH:5][cH:6][cH:7]1.[Na+:29].[Na+:30].[OH2:38].[S:24]([O-:25])([O-:26])(=[O:27])=[S:28]>>[Cl:1][c:2]1[c:3]([O:8][CH:9]2[CH2:10][CH2:11][O:12][CH2:13][CH2:14]2)[n:4][cH:5][c:6]([OH:17])[cH:7]1

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 923Sodium ion2×HCID 962WaterHCID 1084Thiosulfate ionHCID 6585Peracetic AcidHCID 8900HeptaneHCID 58042360HCID 58042360, compound

Product 1

HCID 58042462HCID 58042462, compound

Sources & evidence

ORD record
ord-50ecd7313cca42aea2e9e38068067535
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

Loading…