Acetic Acid → 1-[(1,1-Dioxidoisothiazolidin-2-yl)methyl]tricyclo[3.3.1.03,7]nonane-3-carboxylicacid

HRID 104874

Reaction equation

HRID 104874 reaction equation
[Br:3][Br:4].[C:27]([OH:28])(=[O:29])[CH3:30].[CH2:31]1[O:32][CH2:33][CH2:34][O:35][CH2:36]1.[Na+:2].[O-:5][Br:6].[O:7]=[S:8]1(=[O:26])[N:9]([CH2:13][C:14]23[CH2:15][C:16]4([C:23]([CH3:24])=[O:25])[CH2:17][CH:18]([CH2:19][CH:20]4[CH2:21]2)[CH2:22]3)[CH2:10][CH2:11][CH2:12]1.[OH-:1].[OH2:37]>>[O:7]=[S:8]1(=[O:26])[N:9]([CH2:13][C:14]23[CH2:15][C:16]4([C:23]([OH:25])=[O:29])[CH2:17][CH:18]([CH2:19][CH:20]4[CH2:21]2)[CH2:22]3)[CH2:10][CH2:11][CH2:12]1

Participants

9

Reactant 8

HCID 176Acetic AcidHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 24408BromineHCID 312751,4-DioxaneHCID 5460626HypobromiteHCID 670178461-{1-[(1,1-Dioxido isothiazolidin-2-yl)methyl]tricyclo[3.3.1.03,7]non-3-yl}ethanone

Product 1

HCID 673003471-[(1,1-Dioxidoisothiazolidin-2-yl)methyl]tricyclo[3.3.1.03,7]nonane-3-carboxylicacid

Sources & evidence

ORD record
ord-fc87edf17d0a4aeea47e925d0fe005e0
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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