Acetic Acid → HCID 178421537, compound

HRID 2322708Notes

Reaction equation

HRID 2322708 reaction equation
[Br:1][NH:2][C:3]([CH3:4])=[O:5].[CH3:40][C:41](=[O:42])[CH3:43].[CH3:44][C:45](=[O:46])[OH:47].[Na+:38].[Na+:39].[OH2:33].[OH:6][CH:7]1[CH2:8][C:9]2=[CH:10][CH2:11][CH:12]3[C:13]4=[CH:14][CH2:15][CH:16]([C:17]5([CH3:18])[O:19][CH2:20][CH2:21][O:22]5)[C:23]4([CH3:32])[CH:24]([OH:31])[CH2:25][CH:26]3[C:27]2([CH3:30])[CH2:28][CH2:29]1.[S:34]([O-:35])([O-:36])=[O:37]>>[O:5]1[C:9]23[CH2:8][CH:7]([OH:6])[CH2:29][CH2:28][C:27]2([CH3:30])[CH:26]2[CH:12]([CH2:11][CH:10]13)[C:13]1=[CH:14][CH2:15][CH:16]([C:17]3([CH3:18])[O:19][CH2:20][CH2:21][O:22]3)[C:23]1([CH3:32])[CH:24]([OH:31])[CH2:25]2

Participants

8

Reactant 7

HCID 176Acetic AcidHCID 180AcetoneHCID 923Sodium ion2×HCID 962WaterHCID 1099SulfiteHCID 4353N-BromoacetamideHCID 17831196HCID 17831196, compound

Product 1

HCID 178421537HCID 178421537, compound

Sources & evidence

ORD record
ord-2db15a5791b740029c7276bbfb326597
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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