Sodium ion → 10-(2-Hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid

HRID 807444

Reaction equation

HRID 807444 reaction equation
[C:1](=[O:2])([OH:3])[CH2:4][N:5]1[CH2:6][CH2:7][N:8]([CH2:21][C:22](=[O:23])[OH:24])[CH2:9][CH2:10][N:11]([CH2:17][C:18](=[O:19])[OH:20])[CH2:12][CH2:13][NH:14][CH2:15][CH2:16]1.[CH2:27]1[CH:28]([CH3:29])[O:30]1.[Na+:26].[OH-:25].[OH2:31]>>[C:1](=[O:2])([OH:3])[CH2:4][N:5]1[CH2:6][CH2:7][N:8]([CH2:21][C:22](=[O:23])[OH:24])[CH2:9][CH2:10][N:11]([CH2:17][C:18](=[O:19])[OH:20])[CH2:12][CH2:13][N:14]([CH2:27][CH:28]([CH3:29])[OH:30])[CH2:15][CH2:16]1

Participants

6

Reactant 5

HCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 6378Propylene OxideHCID 1078301,4,7-Tris(carboxymethyl)-1,4,7,10-tetraazacyclododecane

Product 1

HCID 6071510-(2-Hydroxypropyl)-1,4,7,10-tetraazacyclododecane-1,4,7-triacetic acid

Sources & evidence

ORD record
ord-82714efbc2c54c2eb0c8e8f8b5939a8d
Source dataset
Test data from https://doi.org/10.1039/C8SC04228D

Linked notes

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