2-Butenedioic acid → 2-Butenedioic acid

HRID 2318291Notes

Reaction equation

HRID 2318291 reaction equation
[C:1]([CH:2]=[CH:3][C:4](=[O:5])[OH:6])(=[O:7])[OH:8].[C:44]([O-:45])(=[O:46])[CH:47]=[CH:48][C:49]([O-:50])=[O:51].[CH3:42][OH:43].[CH3:9][O:10][c:11]1[cH:12][cH:13][c:14]([CH:17]2[S:18][c:19]3[c:20]([cH:35][cH:36][c:37]([Cl:39])[cH:38]3)[N:21]([CH2:29][CH2:30][NH:31][CH2:32][CH2:33][CH3:34])[C:22](=[O:28])[CH:23]2[O:24][C:25](=[O:26])[CH3:27])[cH:15][cH:16]1.[Na+:41].[OH-:40].[OH2:52]>>[C:1]([CH:2]=[CH:3][C:4](=[O:5])[OH:6])(=[O:7])[OH:8].[CH3:9][O:10][c:11]1[cH:12][cH:13][c:14]([CH:17]2[S:18][c:19]3[c:20]([cH:35][cH:36][c:37]([Cl:39])[cH:38]3)[N:21]([CH2:29][CH2:30][NH:31][CH2:32][CH2:33][CH3:34])[C:22](=[O:28])[CH:23]2[OH:24])[cH:15][cH:16]1

Participants

9

Reactant 7

HCID 7232-Butenedioic acidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 164547ButenedioateHCID 13604031HCID 13604031, compound

Product 2

HCID 7232-Butenedioic acidHCID 13604041HCID 13604041, compound

Sources & evidence

ORD record
ord-bc8fa4d72fe440c481b6e8e2e52addd5
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (10/10)

Reaction notes

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