Citric Acid → HCID 86630919, compound

HRID 135247Notes

Reaction equation

HRID 135247 reaction equation
[Br:30][CH2:31][CH2:32][CH2:33][CH2:34][N:35]([C:36]([C:37]([F:38])([F:39])[F:40])=[O:41])[CH2:42][CH2:43][S:44](=[O:45])(=[O:46])[CH3:47].[C:48](=[O:49])([O-:50])[O-:51].[CH3:67][N:68]([CH3:69])[C:70](=[O:71])[CH3:72].[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[n:19][cH:20][n:21][c:22]3[c:27]2[CH2:26][C:25](=[N:28][OH:29])[CH:24]=[CH:23]3)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1.[K+:52].[K+:53].[OH:54][C:55]([CH2:56][C:57]([C:58](=[O:59])[OH:60])([CH2:61][C:62](=[O:63])[OH:64])[OH:65])=[O:66]>>[Cl:1][c:2]1[cH:3][c:4]([NH:17][c:18]2[n:19][cH:20][n:21][c:22]3[c:27]2[CH2:26][C:25](=[N:28][O:29][CH2:31][CH2:32][CH2:33][CH2:34][N:35]([C:36]([C:37]([F:38])([F:39])[F:40])=[O:41])[CH2:42][CH2:43][S:44](=[O:45])(=[O:46])[CH3:47])[CH:24]=[CH:23]3)[cH:5][cH:6][c:7]1[O:8][CH2:9][c:10]1[cH:11][c:12]([F:16])[cH:13][cH:14][cH:15]1

Participants

7

Reactant 6

HCID 311Citric AcidHCID 813Potassium Cation2×HCID 19660Carbonate IonHCID 31374DimethylacetamideHCID 54156798HCID 54156798, compoundHCID 136346313HCID 136346313, compound

Product 1

HCID 86630919HCID 86630919, compound

Sources & evidence

ORD record
ord-3c88224183534cbca26f71d93f8d6c58
Source dataset
Training data from https://doi.org/10.1039/C8SC04228D (9/10)

Reaction notes

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