Citric Acid → HCID 59773474, compound

HRID 1561020Notes

Reaction equation

HRID 1561020 reaction equation
[C:13](=[O:14])([O-:15])[O-:16].[CH3:19][O:20][C:21]([c:22]1[c:23]([CH2:28][Br:29])[cH:24][cH:25][cH:26][cH:27]1)=[O:30].[ClH:1].[K+:17].[K+:18].[O:31]=[CH:32][N:33]([CH3:34])[CH3:35].[OH:36][C:37]([CH2:38][C:39]([C:40](=[O:41])[OH:42])([CH2:43][C:44](=[O:45])[OH:46])[OH:47])=[O:48].[n:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([SH:12])[c:11]12>>[n:2]1[cH:3][cH:4][cH:5][c:6]2[cH:7][cH:8][cH:9][c:10]([S:12][CH2:28][c:23]3[c:22]([C:21]([O:20][CH3:19])=[O:30])[cH:27][cH:26][cH:25][cH:24]3)[c:11]12

Participants

8

Reactant 7

HCID 311Citric AcidHCID 313Hydrochloric AcidHCID 813Potassium Cation2×HCID 6228DimethylformamideHCID 19660Carbonate IonHCID 960288-MercaptoquinolineHCID 2734813Methyl 2-(bromomethyl)benzoate

Product 1

HCID 59773474HCID 59773474, compound

Sources & evidence

ORD record
ord-5b2e33054bca4f5889eecd465626c973
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (1/10)

Reaction notes

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