Sodium ion → Iopentol

HRID 176153

Reaction equation

HRID 176153 reaction equation
[C:1]([CH3:2])(=[O:3])[NH:4][c:5]1[c:6]([I:29])[c:7]([C:21](=[O:22])[NH:23][CH2:24][CH:25]([CH2:26][OH:27])[OH:28])[c:8]([I:20])[c:9]([C:10](=[O:11])[NH:12][CH2:13][CH:14]([CH2:15][OH:16])[OH:17])[c:18]1[I:19].[CH2:39]([OH:40])[CH:41]([OH:42])[CH3:43].[Na+:31].[OH-:30].[OH:32][CH:33]([CH2:34][Cl:35])[CH2:36][O:37][CH3:38]>>[C:1]([CH3:2])(=[O:3])[N:4]([c:5]1[c:6]([I:29])[c:7]([C:21](=[O:22])[NH:23][CH2:24][CH:25]([CH2:26][OH:27])[OH:28])[c:8]([I:20])[c:9]([C:10](=[O:11])[NH:12][CH2:13][CH:14]([CH2:15][OH:16])[OH:17])[c:18]1[I:19])[CH2:34][CH:33]([OH:32])[CH2:36][O:37][CH3:38]

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 1030Propylene GlycolHCID 979881-Chloro-3-methoxypropan-2-olHCID 111153265-Acetamido-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodoisophthalamide

Product 1

HCID 56016Iopentol

Sources & evidence

ORD record
ord-8944bde0c9cf49f895e5c15d3ba94824
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (6/10)

Linked notes

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