Citric Acid → HCID 58508951, compound

HRID 1567029Notes

Reaction equation

HRID 1567029 reaction equation
[CH3:57][OH:58].[CH3:59][CH2:60][O:61][C:62](=[O:63])[CH3:64].[Na+:2].[O:51]1[CH2:52][CH2:53][O:54][CH2:55][CH2:56]1.[OH-:1].[OH2:50].[OH:37][C:38]([CH2:39][C:40]([C:41](=[O:42])[OH:43])([CH2:44][C:45](=[O:46])[OH:47])[OH:48])=[O:49].[OH:3][c:4]1[c:5]([C:6](=[O:7])[NH:8][c:9]2[c:10]([C:11](=[O:12])[O:13][C:14]([CH3:15])([CH3:16])[CH3:17])[cH:18][cH:19][c:20](-[c:22]3[s:23][cH:24][cH:25][cH:26]3)[cH:21]2)[cH:27][c:28]([N:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[cH:29][cH:30]1>>[OH:3][c:4]1[c:5]([C:6](=[O:7])[NH:8][c:9]2[c:10]([C:11](=[O:12])[OH:13])[cH:18][cH:19][c:20](-[c:22]3[s:23][cH:24][cH:25][cH:26]3)[cH:21]2)[cH:27][c:28]([N:31]2[CH2:32][CH2:33][CH2:34][CH2:35][CH2:36]2)[cH:29][cH:30]1

Participants

9

Reactant 8

HCID 311Citric AcidHCID 887MethanolHCID 923Sodium ionHCID 961HydroxideHCID 962WaterHCID 8857Ethyl AcetateHCID 312751,4-DioxaneHCID 58508527HCID 58508527, compound

Product 1

HCID 58508951HCID 58508951, compound

Sources & evidence

ORD record
ord-69d20fa13c304551806632cee2122dc2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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