Toluene → Acetic acid 1-acetoxymethyl-2-[3-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo-5-isocyanato-benzoylamino]-ethyl ester

HRID 147894

Reaction equation

HRID 147894 reaction equation
[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([CH2:7][NH:8][C:9]([c:10]1[c:11]([I:33])[c:12]([NH2:32])[c:13]([I:31])[c:14]([C:17]([NH:18][CH2:19][CH:20]([CH2:21][O:22][C:23]([CH3:24])=[O:25])[O:26][C:27]([CH3:28])=[O:29])=[O:30])[c:15]1[I:16])=[O:34])[O:35][C:36]([CH3:37])=[O:38].[CH2:43]1[O:44][CH2:45][CH2:46][O:47][CH2:48]1.[CH3:49][c:50]1[cH:51][cH:52][cH:53][cH:54][cH:55]1.[Cl:39][C:40]([Cl:41])=[O:42]>>[C:1]([CH3:2])(=[O:3])[O:4][CH2:5][CH:6]([CH2:7][NH:8][C:9]([c:10]1[c:11]([I:33])[c:12]([N:32]=[C:40]=[O:42])[c:13]([I:31])[c:14]([C:17]([NH:18][CH2:19][CH:20]([CH2:21][O:22][C:23]([CH3:24])=[O:25])[O:26][C:27]([CH3:28])=[O:29])=[O:30])[c:15]1[I:16])=[O:34])[O:35][C:36]([CH3:37])=[O:38]

Participants

5

Reactant 4

HCID 1140TolueneHCID 6371PhosgeneHCID 312751,4-DioxaneHCID 98975345-Amino-N,N'-bis(2,3-dihydroxypropyl)-2,4,6-triiodo-1,3-benzenedicarboxamide Tetraacetate

Product 1

HCID 10463456Acetic acid 1-acetoxymethyl-2-[3-(2,3-diacetoxy-propylcarbamoyl)-2,4,6-triiodo-5-isocyanato-benzoylamino]-ethyl ester

Sources & evidence

ORD record
ord-1c24165430ae4499b359d01115580cc6
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Linked notes

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