2,3-Dihydroxybutanedioic Acid → HCID 21938261, compound

HRID 171989Notes

Reaction equation

HRID 171989 reaction equation
[CH2:45]1[O:46][CH2:47][CH2:48][O:49][CH2:50]1.[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[cH:8][c:9]([CH3:14])[nH:10][c:11]2[cH:12][cH:13]1.[Cl:15][c:16]1[c:17]([CH2:18][Br:19])[cH:20][cH:21][c:22](-[c:24]2[cH:25][cH:26][cH:27][cH:28][cH:29]2)[cH:23]1.[I-:43].[Na+:41].[Na+:42].[OH-:40].[OH2:44].[OH:30][CH:31]([C:32](=[O:33])[OH:34])[CH:35]([C:36](=[O:37])[OH:38])[OH:39]>>[CH3:1][O:2][C:3](=[O:4])[c:5]1[cH:6][c:7]2[c:8]([CH2:18][c:17]3[c:16]([Cl:15])[cH:23][c:22](-[c:24]4[cH:25][cH:26][cH:27][cH:28][cH:29]4)[cH:21][cH:20]3)[c:9]([CH3:14])[nH:10][c:11]2[cH:12][cH:13]1

Participants

9

Reactant 8

HCID 8752,3-Dihydroxybutanedioic AcidHCID 923Sodium ion2×HCID 961HydroxideHCID 962WaterHCID 30165Iodide IonHCID 312751,4-DioxaneHCID 12230324HCID 12230324, compoundHCID 2193833292059-86-4

Product 1

HCID 21938261HCID 21938261, compound

Sources & evidence

ORD record
ord-1418c43f29774a00aedf214c0e4ffd97
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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