Citric Acid → HCID 76550347, compound

HRID 1567410Notes

Reaction equation

HRID 1567410 reaction equation
[CH2:50]1[O:51][CH2:52][CH2:53][CH2:54]1.[CH3:56][CH2:57][O:58][C:59]([CH3:60])=[O:61].[Cl:20][c:21]1[c:22]2[c:23]([n:24][cH:25][n:26]1)[n:27](-[c:30]1[n:31][cH:32][cH:33][n:34][c:35]1[CH3:36])[n:28][cH:29]2.[H-:1].[Na+:2].[OH2:55].[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][CH:4]([C:5](=[O:6])[NH:7][c:8]1[n:9][cH:10][c:11]([CH3:14])[n:12][cH:13]1)[CH2:15][O:16][CH:17]([CH3:18])[CH3:19]>>[O:3]([CH:4]([C:5](=[O:6])[NH:7][c:8]1[n:9][cH:10][c:11]([CH3:14])[n:12][cH:13]1)[CH2:15][O:16][CH:17]([CH3:18])[CH3:19])[c:21]1[c:22]2[c:23]([n:24][cH:25][n:26]1)[n:27](-[c:30]1[n:31][cH:32][cH:33][n:34][c:35]1[CH3:36])[n:28][cH:29]2

Participants

9

Reactant 8

HCID 311Citric AcidHCID 923Sodium ionHCID 962WaterHCID 8028TetrahydrofuranHCID 8857Ethyl AcetateHCID 166653HydrideHCID 57504487HCID 57504487, compoundHCID 66813117HCID 66813117, compound

Product 1

HCID 76550347HCID 76550347, compound

Sources & evidence

ORD record
ord-5851922a1a334fa197427f295fa5d8f2
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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