Citric Acid → HCID 66990569, compound

HRID 668342Notes

Reaction equation

HRID 668342 reaction equation
[Br:7][CH2:8][CH2:9][Br:10].[C:1](=[O:2])([O-:3])[O-:4].[CH2:11]([c:12]1[cH:13][cH:14][cH:15][cH:16][cH:17]1)[O:18][c:19]1[c:20]([C:21](=[O:22])[NH:23][c:24]2[c:25]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:33][cH:34][c:35](-[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[cH:36]2)[cH:43][cH:44][c:45]([OH:47])[cH:46]1.[CH3:61][CH2:62][O:63][C:64](=[O:65])[CH3:66].[CH3:67][N:68]([CH3:69])[CH:70]=[O:71].[K+:5].[K+:6].[OH:48][C:49]([CH2:50][C:51]([C:52](=[O:53])[OH:54])([CH2:55][C:56](=[O:57])[OH:58])[OH:59])=[O:60]>>[Br:7][CH2:8][CH2:9][O:47][c:45]1[cH:44][cH:43][c:20]([C:21](=[O:22])[NH:23][c:24]2[c:25]([C:26](=[O:27])[O:28][C:29]([CH3:30])([CH3:31])[CH3:32])[cH:33][cH:34][c:35](-[c:37]3[cH:38][cH:39][cH:40][cH:41][cH:42]3)[cH:36]2)[c:19]([O:18][CH2:11][c:12]2[cH:13][cH:14][cH:15][cH:16][cH:17]2)[cH:46]1

Participants

8

Reactant 7

HCID 311Citric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 78391,2-DibromoethaneHCID 8857Ethyl AcetateHCID 19660Carbonate IonHCID 66990773HCID 66990773, compound

Product 1

HCID 66990569HCID 66990569, compound

Sources & evidence

ORD record
ord-6ad58230554342bc884ee92f5a24a107
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (3/10)

Reaction notes

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