Citric Acid → HCID 25096161, compound

HRID 2146000Notes

Reaction equation

HRID 2146000 reaction equation
[C:31]([CH3:32])([CH3:33])([CH3:34])[O:35][C:36]([CH2:37][Br:38])=[O:39].[CH2:60]([N+:61]([CH2:62][CH2:63][CH2:64][CH3:65])([CH2:66][CH2:67][CH2:68][CH3:69])[CH2:70][CH2:71][CH2:72][CH3:73])[CH2:74][CH2:75][CH3:76].[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[o:11][c:12]3[n:13][cH:14][n:15][c:16]([O:18][CH2:19][C:20]([CH2:21][OH:22])([CH3:23])[CH3:24])[c:17]23)[cH:7][cH:8]1.[Cl:77][CH2:78][Cl:79].[Na+:41].[OH-:40].[OH:42][C:43]([CH2:44][C:45]([C:46](=[O:47])[OH:48])([CH2:49][C:50](=[O:51])[OH:52])[OH:53])=[O:54].[S:55]([O-:56])([OH:57])(=[O:58])=[O:59]>>[CH3:1][O:2][c:3]1[cH:4][cH:5][c:6](-[c:9]2[c:10](-[c:25]3[cH:26][cH:27][cH:28][cH:29][cH:30]3)[o:11][c:12]3[n:13][cH:14][n:15][c:16]([O:18][CH2:19][C:20]([CH2:21][O:22][CH2:37][C:36]([O:35][C:31]([CH3:32])([CH3:33])[CH3:34])=[O:39])([CH3:23])[CH3:24])[c:17]23)[cH:7][cH:8]1

Participants

9

Reactant 8

HCID 311Citric AcidHCID 923Sodium ionHCID 961HydroxideHCID 6344DichloromethaneHCID 16028TetrabutylammoniumHCID 61778Sulfate, hydrogenHCID 79177tert-Butyl bromoacetateHCID 58016880HCID 58016880, compound

Product 1

HCID 25096161HCID 25096161, compound

Sources & evidence

ORD record
ord-dd9fb1931bcc43e385c45bdc805e9516
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (4/10)

Reaction notes

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