Acetic Acid → HCID 57643017, compound

HRID 319721Notes

Reaction equation

HRID 319721 reaction equation
[BrH:34].[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[c:6](-[c:21]2[c:22]([Br:33])[c:23]([O:31][CH3:32])[c:24]([O:29][CH3:30])[c:25]([O:27][CH3:28])[cH:26]2)[n:7][c:8]2[c:9]([c:10]1=[O:11])[c:12]1[c:13]([s:14]2)[c:15]([OH:20])[cH:16][c:17]([CH3:19])[cH:18]1.[CH3:42][C:43](=[O:44])[OH:45].[Na+:35].[Na+:36].[O-:37][S:38](=[O:39])(=[O:40])[O-:41]>>[CH2:1]([CH2:2][CH2:3][CH3:4])[n:5]1[c:6](-[c:21]2[c:22]([Br:33])[c:23]([OH:31])[c:24]([O:29][CH3:30])[c:25]([O:27][CH3:28])[cH:26]2)[n:7][c:8]2[c:9]([c:10]1=[O:11])[c:12]1[c:13]([s:14]2)[c:15]([OH:20])[cH:16][c:17]([CH3:19])[cH:18]1

Participants

6

Reactant 5

HCID 176Acetic AcidHCID 260Hydrogen BromideHCID 923Sodium ion2×HCID 1117Sulfate IonHCID 59854736HCID 59854736, compound

Product 1

HCID 57643017HCID 57643017, compound

Sources & evidence

ORD record
ord-be5c39cf76144cb0bef7278970a2822b
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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