Chloride → 3-[N-(2,3-dihydroxypropyl)carbamoyl]-5-[N-(2,3-dihydroxypropyl)-N-methylcarbamoyl]-2,4,6-triiodobenzonitrile

HRID 295350Notes

Reaction equation

HRID 295350 reaction equation
[C:2](#[N:3])[c:4]1[c:5]([I:23])[c:6]([C:15]([NH:16][CH2:17][CH:18]([CH2:19][OH:20])[OH:21])=[O:22])[c:7]([I:14])[c:8]([C:9](=[O:10])[OH:11])[c:12]1[I:13].[CH3:24][NH:25][CH2:26][CH:27]([CH2:28][OH:29])[OH:30].[CH3:31][C:32]([N:33]([CH3:34])[CH3:35])=[O:36].[Cl-:1]>>[C:2](#[N:3])[c:4]1[c:5]([I:23])[c:6]([C:15]([NH:16][CH2:17][CH:18]([CH2:19][OH:20])[OH:21])=[O:22])[c:7]([I:14])[c:8]([C:9](=[O:10])[N:25]([CH3:24])[CH2:26][CH:27]([CH2:28][OH:29])[OH:30])[c:12]1[I:13]

Participants

5

Reactant 4

HCID 312ChlorideHCID 31374DimethylacetamideHCID 27341223-(Methylamino)propane-1,2-diolHCID 205411513-Cyano-5-(2,3-dihydroxypropylcarbamoyl)-2,4,6-triiodobenzoic acid

Product 1

HCID 129408523-[N-(2,3-dihydroxypropyl)carbamoyl]-5-[N-(2,3-dihydroxypropyl)-N-methylcarbamoyl]-2,4,6-triiodobenzonitrile

Sources & evidence

ORD record
ord-efca54d344484d119aad97781e04c496
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (8/10)

Reaction notes

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