Chloride → HCID 68975311, compound

HRID 1551149Notes

Reaction equation

HRID 1551149 reaction equation
[CH2:16]([CH3:17])[O:18][C:19]([CH:20]([C:21]([O:22][CH2:23][CH3:24])=[O:25])[c:26]1[c:27](=[O:40])[n:28]([CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[n:29][cH:30][c:31]1[Cl:32])=[O:41].[CH2:1]([C:2]([CH2:3][CH3:4])([C:5]([O-:6])=[O:7])[C:8]([O-:9])=[O:10])[CH3:11].[CH2:42]([O:43][C:44](=[O:45])[CH:46]([c:47]1[cH:48][n:49][n:50]([CH2:51][c:52]2[cH:53][cH:54][cH:55][cH:56][cH:57]2)[c:58](=[O:59])[c:60]1[Cl:61])[C:62]([O:63][CH2:64][CH3:65])=[O:66])[CH3:67].[CH3:13][CH2:14][O-:15].[CH3:77][S:78]([CH3:79])=[O:80].[CH:70]([O:71][CH:72]([CH3:73])[CH3:74])([CH3:75])[CH3:76].[Cl-:68].[Na+:12].[Na+:69].[OH2:81]>>[CH2:16]([CH3:17])[O:18][C:19]([CH2:20][c:26]1[c:27](=[O:40])[n:28]([CH2:33][c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)[n:29][cH:30][c:31]1[Cl:32])=[O:41]

Participants

10

Reactant 9

HCID 312ChlorideHCID 679Dimethyl SulfoxideHCID 923Sodium ion2×HCID 962WaterHCID 7914Diisopropyl EtherHCID 1194401-Hydroxyethyl radicalHCID 69515632,2-DiethylpropanedioateHCID 68975878HCID 68975878, compoundHCID 68976696HCID 68976696, compound

Product 1

HCID 68975311HCID 68975311, compound

Sources & evidence

ORD record
ord-aced659f06fb433cb8a3795395136c14
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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